VirtualToxLab™ 3.8
Estimating the toxic potential of drugs, chemicals and natural products

The VirtualToxLab is an in silico tool for predicting the toxic potential (endocrine and metabolic disruption, interference with the hERG ion channel) of drugs, chemicals and natural products. The toxic potential (TP) is derived from the normalized binding affinities towards a series of 16 proteins known to trigger adverse effects and weighted (→ wTP) using the standard deviations of the individual predictions as well as the quality of the underlying models — i.e. number, ratio and range of training and test compounds as well as the predictive r² value of the very mQSAR model. The wTP is based solely on thermodynamic considerations and does not include any ADME (adsorption, distribution, metabolism, elimination) aspects. The wTP ranges from 0.0 (none) to 1.0 (extreme). The wTP is a complex, non-linear function that should not be overvalued but, instead, be interpreted as a toxic alert. Version 3.8 features Cheetah 2.0 (automated, flexible docking) that newly includes ligand–protein polarization terms in its directional force field.

Binding of 2-CF₃-3,7,8-trichlorodibenzo-p-dioxin to the Aryl hydrocarbon receptor. Calculated binding affinity = 9.9 nM (exp. = 3.6 nM). Click on image to enlarge.

Target Proteins: Androgen receptor (AR), Aryl hydrocarbon receptor (AhR), Cytochrome P450 1A2 (CYP1A2), Cytochrome P450 2A13 (CYP2A13), Cytochrome P450 2C9 (CYP2C9), Cytochrome P450 2D6 (CYP2D6), Cytochrome P450 3A4 (CYP3A4), hERG, Estrogen receptor α (ERα), Estrogen receptor β (ERβ), Glucocorticoid receptor (GR), Liver X receptor (LXR), Mineralocorticoid receptor (MR), Peroxisome Proliferator-Activated receptor γ (PPARγ), Thyroid receptor α (TRα), Thyroid receptor β (TRβ).

1. Environmental chemicals

2. Food additives and colorants

3. Antibiotics

4. Psychotropic drugs

9. Vitamins

10. Natural compounds

11. Cosmetic chemicals

12. Various chemicals

13. Pesticides

14. Miscellaneous compounds

15. Doping: compounds banned by the NCAA

Total number of listed compounds = 2,518

1. Environmental Chemicals

Compound Weighted toxic potential wTP class¹ Main target² Comments

Anthracene 0.468 * PAH: very toxic to aquatic organisms

Benzo[a]anthracene 0.656 ** AhR PAH: polyaromatic hydrocarbon

Benzo[a]pyrene 0.690 ** AhR PAH: genotoxic, cancerogenic

Benzil 0.220 – photoinitiator: skin, eye and respiratory irritant

3-Benzylidene camphor (1R,4S/1S,4R) 0.293 / 0.395 * UV absorber: endocrine disruptor

4,4'-Bis(dimethylamino)benzil 0.176 –

Bis(4-hydroxyphenyl)methane 0.485 *

2,3-Bis(4-methoxyphenyl)-2-butene 0.741 *** ERα

2,3-Bis(4-methoxyphenyl)-1,3-dimethylene-ethane 0.498 **

Bisphenol-A 0.540 ** ERβ polymer additive: acute toxic in rats

Bisphenol-B 0.409 * polymer additive: estrogenic activity

2,3-Bisphenyl-2-butene 0.283 * –

Chalcone 0.443 * antibacterial, antifungal, anti-inflammatory

Chrysene 0.649 ** AhR PAH: tumorigenic in animals

Cocaine 0.459 * stimulant: induces teratogenesis; genotoxic to cells

Coumestrol 0.668 ** ERβ phytochemical

p-Cumate 0.108 –

Cumin alcohol 0.230 –

p-Cymene 0.149 –

DDT 0.418 * synthetic pesticide: banned in most developed countries

Doxycycline 0.424 * antibiotic: skin photosensitivity

Dibenzo[ah]anthracene 0.835 **** AhR PAH: cancerogenic

4,4'-Dimethoxybenzil 0.475 *

4,4'-Dimethylbenzil 0.225 –

2,3-Diphenylbutane-2,3-diol (RR/SS) 0.137 / 0.158 –

2,3-Di-p-tolylbutane-2,3-diol (RR/SS) 0.225 / 0.174 –

17β-Estradiol 0.716 *** ERβ female sex hormone

Ethanol 0.018 – alcoholic beverages

Gestrinone 0.655 ** AR synthetic steroid hormone

3,4,5,3',4',5'-Hexabromodiphenylether 0.510 ** AhR flame retardant

1,2,3,4,7,8-Hexachlorodibenzofuran 0.772 *** AhR environmental pollutant: teratogenic, mutagenic

Homosalate 0.309 * UV absorber

2-Hydroxy-4-methoxybenzophenone 0.242 – UV absorber: no reproductive toxicity in mice

Kaempferol 0.473 * flavonoid

4-Methylbenzylidene camphor (1R,4S/1S,4R) 0.456 / 0.329 * UV absorber: endocrine disruptor

3-Methylcholanthrene 0.750 *** AhR PAH: carcinogenic in mice

Methyltrienolone 0.644 ** AR anabolic steroid

Nicotine 0.317 * tobacco alkaloid

Ochratoxin A 0.335 * mycotoxin: carcinogen in rats and mice

Octocrylene (R/S) 0.367 / 0.378 * UV absorber: evidence for malignant melanoma

Octyl-dimethyl-p-aminobenzoic acid (R/S) 0.184 / 0.172 – UV absorber: no estrogenic activity in zebra fish

Octyl-methoxycinnamate (R/S) 0.210 / 0.262 – UV absorber: estrogenic effects in laboratory animals

1,2,3,7,8-Pentachlorodibenzofuran 0.671 ** AhR environmental pollutant: teratogenic, mutagenic

2,3,4,7,8-Pentachlorodibenzofuran 0.745 *** AhR environmental pollutant: teratogenic, mutagenic

Perylene 0.629 ** AhR PAH: hazardous pollutant, cancerogenic

Pyrene 0.480 * PAH: toxic to aquatic organisms

Quercetin 0.435 * flavonoid (flavonol)

2,2',6,6'-Tetrabromobisphenol-A 0.461 * flame retardant

2,3,7,8-Tetrachlorodibenzo-p-dioxin 0.680 ** AhR TCDD: carcinogen, chloracne

2,3,7,8-Tetrachlorodibenzofuran 0.697 ** AhR environmental pollutant: teratogenic, mutagenic

Tetracycline 0.573 ** GR antibiotic: skin photosensitivity

2,2',4,4'-Tetrahydroxybenzophenone 0.351 * UV absorber: estrogenic activity in human cells

2-Trifluormethyl-3,7,8-trichlorodibenzo-p-dioxin 0.813 **** AhR TCDD derivative: carcinogen

¹ Toxic potential classes: **** (extreme: wTP > 0.800), *** (high: wTP > 0.700), ** (moderate: wTP > 0.500), * (low: wTP > 0.300), – (none: wTP ≤ 0.300)
² Highest contribution to the wTP (not necessarily identical with the target displaying the highest affinity); listed only for wTP ≥ 0.500

2. Food Additives and Colorants

Compound Weighted toxic potential wTP class main Target Comments

Acesulfame 0.294 – calorie-free artificial sweetener

Allylhexanoate 0.062 – flavorant: no adverse effects in rats

Amaranth 0.377 * food dye: no serious toxic responses known

Benzaldehyde 0.134 – flavorant; CNS disturbance in rats

Cyclamate 0.216 – artificial sweetener: no clear evidence for toxicity

Dulcin 0.497 * artificial sweetener: carcinogenic properties

E100 0.415 * food dye: unclear toxicity

E102 0.080 – food dye: hyperactivity in children

E104 0.504 ** AhR food yellow 13: banned in the US and Japan

E105 0.260 – food dye: forbidden in US and Europe

E110 0.188 – food yellow 6: hyperactivity in children

E121 (Citrus Red 2) 0.310 * food dye (orange skin only): carcinogen

E122 (Azorubine) 0.382 * food dye: forbidden in US and Europe

E125 (Scarlet GN) 0.395 * food dye (fruit peels and maraschino cherries only)

E129 0.113 – food dye: developmental toxicity in rats

E180 0.186 * food dye: banned in several countries

Erythrosine 0.198 – fluorone food dye: adverse effects in mice

Ethoxyquin 0.345 * antioxidant (used in spices to prevent color loss)

Ethylmaltol 0.183 – flavorant: no toxic effects in humans at low dosage

Ethylpropionate 0.014 – flavorant: eye, skin and respiratory tract irritation

Heptyl-p-hydroxybenzoate 0.484 * food additive: weak estrogen binder

Hexamine (E239) 0.157 – preservative (cheese)

Isoamylacetate 0.037 – flavorant; low toxicity

Limonene 0.097 – flavorant: skin irritant; no carcinogenicity/genotoxicity

Maltitol 0.526 ** ERβ sugar substitute: weak genotoxic potential

Methylparabene 0.493 * preservative for food, drugs, cosmetics: antifungal

Methylsalicylate 0.091 – flavorant: may cause fetal deformations

Perillartine 0.304 * artificial sweetener

Propylgallate 0.084 – antioxidant: growth retardation: no cancerogenicity

Sorbitol 0.289 – flavorant: no harmful effects in man

Sucralose 0.312 * artificial sweetener

Xylitol 0.436 * sugar substitute: no known toxicity

3. Antibiotics

Compound Weighted toxic potential wTP class Main target Comments

Amoxicillin 0.173 – β-lactam antibiotic

Ampicillin 0.088 – β-lactam antibiotic

Benzylpenicillin 0.303 * gold-standard penicillin: toxic effects (CNS) at high dosage

Carbenicillin (R/S) 0.260 / 0.184 – bactericidal, bacteriolytic

Carfecillin (R/S) 0.393 / 0.348 * β-lactam antibiotic

Carumonam 0.076 – monobactam antibiotic

Cefacetrile 0.297 – first-generation cephalosporin antibiotic

Cefaclor 0.168 – cephalosporin antibiotic

Cefadroxil 0.310 * broad-spectrum antibiotic

Cefalexin 0.266 – first-generation cephalosporin antibiotic

Cefaloglycin 0.228 – first-generation cephalosporin antibiotic

Cefalotin 0.204 – first-generation cephalosporin antibiotic

Cefamandole 0.190 – broad-spectrum cephalosporin antibiotic

Cefapirin 0.383 * first-generation cephalosporin antibiotic

Cefatrizine 0.087 – broad-spectrum cephalosporin antibiotic

Cefazaflur 0.233 – first-generation cephalosporin antibiotic

Cefazedone 0.210 – cephalosporin antibiotic

Cefazolin 0.177 – first-generation cephalosporin antibiotic

Cefcapene 0.282 – third-generation cephalosporin antibiotic

Cefotaxime 0.158 – third-generation cephalosporin antibiotic

Cefprozil 0.279 – cephalosporin antibiotic

Ceftizoxime 0.214 – third-generation cephalosporin antibiotic

Chloramphenicol 0.123 – bacteriostatic antimicrobal

Chlortetracycline 0.431 * tetracycline antibiotic

Ciclacillin 0.468 * aminopenicillin antibiotic

Cinoxacin 0.411 * quinolone antibiotic

Ciprofloxacin 0.511 ** GR bacteriocidal: CYP450 inhibitor; not carcinogenic in mice

Clofoctol 0.340 * bacteriostatic antibiotic

Clometocillin (R/S) 0.277 / 0.206 – penicillin antibiotic

Clinafloxacin (R/S) 0.351 / 0.485 * quinoline antibiotic

Enoxacin 0.494 * broad-spectrum antibiotic

Enrofloxacin 0.470 * fluoroquinolone antibiotic

Ethionamide 0.077 – tubercolosis antibiotic

Faropenem 0.275 – β-lactam antibiotic

Flucloxacillin 0.579 ** GR narrow-spectrum β-lactam antibiotic

Flumequine (R/S) 0.364 / 0.349 * first-generation antibiotic used in veterinary medicine

Furazolidone 0.150 – diarrhea/enteritis antibiotic

Garenoxacin 0.249 – quinolone antibiotic

Gatifloxacin 0.526 ** GR fourth-generation fluroroquinolone antibiotic

Gemifloxacin (R/S) 0.306 / 0.407 * quinolone antibacterial agent

Grepafloxacin 0.452 * quinoline antibacterial agent

Ibafloxacin 0.377 * quinoline antibiotic

Imipenem 0.240 – β-lactam antibiotic: causes nausea and vomiting

Isoniazid 0.025 – tubercolosis antibiotic

Kanamycin 0.321 * aminoglycoside antibiotic

Levamisole 0.509 ** GR antihelminthic

Linezolid 0.460 * antibacterial (multi-resistant)

Lomefloxacin 0.269 – fluoroquinone antibiotic

Loracarbef (αL/βL/αD/βD) 0.103 / 0.204 / 0.266 / 0.166 – carbacephem antibiotic: nephrotoxic

Mafenide 0.435 * sulfonamide

Marbofloxacin 0.406 * fluoroquinone antibiotic

Mecillinam 0.503 ** GR penicillin antibiotic

Meclocycline 0.503 ** 2C9 tetracycline antibiotic

Metampicillin (R/S) 0.174 / 0.282 – penicillin antibiotic

Meticillin 0.187 – narrow-spectrum β-lactam antibiotic

Metronidazole 0.037 – anti-anaerobic bacterial

Mezlocillin 0.341 * broad-spectrum penicillin antibiotic

Minocycline 0.491 * tetracycline antibiotic

Moxifloxacin 0.381 * fluoroquinolone antibiotic

Nadifloxacin (R/S) 0.387 / 0.407 * fluoroquinolone antibiotic

Nafcillin 0.319 * narrow-spectrum β-lactam antibiotic

Nitrofurantoin 0.250 – antibacterial

Nitrofurazone 0.330 * antibacterial for urinary-tract infections

Norfloxacin 0.518 ** GR antibacterial: not mutagenic and carcinogenic in animals

Orbifloxacin 0.556 ** GR fluoroquinolone antibiotic

Ofloxacin (R/S) 0.372 / 0.406 * against gonorrhea: various side effects

Oxacillin 0.274 – narrow-specturm β-lactam antibiotic

Oxytetracycline 0.439 * broad-spectrum tetracycline antibiotic

Pazufloxacin 0.215 – quinolone antibiotic

Phenoxymethylpenicillin 0.158 – orally active form of penicillin

Prontosil 0.642 ** ERβ antibacterial: no toxic effects known

Pyrazinamide 0.092 – against tuberculosis: hepatoxicity

Pyrimethamine 0.221 – treatment of protozoal infections (malaria)

Rufloxacin 0.420 * quinolone antibiotic

Sarafloxacin 0.578 ** GR quinoline antibiotic

Sitafloxacin 0.327 * fluoroquinoline antibiotic

Sparfloxacin 0.592 ** GR fluoroquinolone antibiotic

Sulbactam 0.105 – β-lactam antibiotic

Sulbenicillin (R/S) 0.272 / 0.383 * penicillin antibiotic

Sulfacetamide 0.245 * anti-inflammatory: thyroid malignancies in rats

Sulfamethoxazole 0.251 – bacteriostatic antibiotic

Sulfanilamide 0.185 – first discovered sulfonamide antibiotic (Nobel price in 1939)

Talampicillin (R/S) 0.362 / 0.516 ** GR β-lactam antibiotic

Ticarcillin 0.156 – β-lactam antibiotic

Tinidazole 0.315 – against protozoan infections: various side effects

Tosufloxacin (R/S) 0.435 / 0.399 * fluoroquinolone antibiotic

Trimethoprim 0.307 – bacteriostatic

Xibornol 0.364 * antibacterial

4. Psychotropic Drugs

Compound Weighted toxic potential wTP class Main target Comments

Alprazolam 0.391 * treatment of anxiety disorders, panic attacks

Amitriptyline 0.427 * antidepressant

Bupropion (R/S) 0.559 / 0.438 ** GR atypical antidepressant

Buspirone 0.459 * anxiolytic agent

Clomipramine 0.504 ** GR antidepressant: various side effects

Desipramine 0.477 * antidepressant: genotoxic

Doxepin 0.480 * psychotropic agent: various side effects

Duloxetine 0.567 ** GR treatment of major depressive disorders

Escitalopram 0.539 ** GR treatment of depression and anxiety

Flunitrazepam 0.278 – hypnotic drug; sedative, anxiolytic, amnestic: some side effects

Fluoxetine (R/S) 0.555 / 0.531 * antidepressant: various side effects

Imipramine 0.523 ** GR antidepressant: various side effects

Lorazepam (R/S) 0.395 / 0.379 * anxiolytic, sedative/hypnotic, anticonvulsant: various side effects

Methylphenidate (R/S) 0.422 / 0.448 * stimulant; ADHD: various side effects

Mirtazapine 0.616 ** GR treatment of depression

Moclobemide 0.109 – treatment of depression, social anxiety

Modafinil 0.184 – psychostimulant: various side effects, some severe

Nikethamide 0.140 – psychostimulans

Nortriptyline 0.585 ** GR antidepressant

Paroxetine 0.326 * antidepressant

Reboxetine 0.657 ** GR antidepressant

Sertraline 0.597 ** AR antidepressant

Trazodone 0.474 * sedative, anxiolytic, antidepressant

Trimipramine (R/S) 0.466 / 0.581 ** GR antidepressant: various side effects

Venlafaxine (R/S) 0.468 / 0.434 * antidepressant

5. Blockbusters

Compound Weighted toxic potential wTP class Main target Comments

Amlodipine (R/S) 0.651 / 0.596 ** GR calcium-channel blocker: various side effects; not carcinogenic

Anastrozole 0.120 – treatment of breast cancer

Aripiprazole 0.640 ** GR treatment of schizophrenia

Atorvastatin 0.285 – statin; cholesterol reducer: various side effects; not teratogenic

Bicalutamide 0.414 * antiandrogen; treatment of prostate cancer

Budesonide 0.723 *** GR treatment of asthma and nasal polyposis

Candesartan 0.170 – treatment of hypertension

Carvedilol (R/S) 0.441 / 0.553 ** GR non-selective beta blocker

Celecoxib 0.360 * NSAID (traetment of osteoarthritis)

Cetirizine (R/S) 0.365 / 0.287 * antihistamine

Clopidogrel (R/S) 0.221 / 0.195 – anti-platelet agent: various side effects; not teratogenic

Donepezil (R/S) 0.648 / 0.648 ** GR/hERG reversible ACE inhibitor

Esomeprazole 0.370 * proton-pump inhibitor: not toxic in rats (within therapeutic ranges)

Ezetimibe 0.396 * anti-hyperlipidemic drug

Fenofibrate 0.438 * cholesterol reducer

Fluticasone 0.466 * corticosteroid: low potential for systemic toxicity

Gemcitabine 0.105 – chemotherapeutic drug

Irbesartan 0.116 – treatment of hypertension

Lansoprazole 0.456 * proton-pump inhibitor: various side effects; carcinogenic in mice/rats

Levofloxacin 0.493 * fluoroquinolone antibiotic

Memantine 0.456 * Alzheimer's disease medication

Metoprolol (R/S) 0.479 / 0.394 * treatment of hypertension

Montelukast 0.447 * leukotriene receptor antagonist: some side effects; not toxic

Olanzapine 0.222 – antipsychotic: various side effects; evidence for teratogenicity

Omeprazole 0.314 – proton-pump inhibitor

Pantoprazole 0.152 – proton-pump inibitor: sporadic occurence of adenomas/carcinomas

Pioglitazone 0.157 – antihyperglycemic, antidiabetic drug

Pregabalin 0.220 – anticonvulsant drug

Quetiapine 0.279 – neuroleptic: various side effects

Rabeprazole 0.300 * proton-pump inibitor

Raloxifene 0.698 ** GR prevention of osteoporosis

Risperidone 0.522 ** GR antipsychotic: mammary gland adenocarcinomas; not mutagenic

Rosuvastatin 0.324 * treatment of hypercholesterolemia

Salmeterol 0.276 – β₂-adrenergic receptor agonist: various side effects; not teratogenic

Simvastatin 0.483 * hypolipidemic drug

Tamsulosin 0.453 * treatment of benign prostatic hyperplasia

Telmisartan 0.414 * treatment of hypertension

Tolterodine (R/S) 0.381 / 0.492 * antimuscarinic drug

Topiramate 0.502 ** GR anticonvulsant drug

Valaciclovir 0.434 * antiviral drug

6. Withdrawn Drugs³

Compound Weighted toxic potential wTP class Main target Comments

Alosetron 0.240 – 5HT₃ antagonist

Alpidem 0.211 – anxiolytic drug

Amineptine 0.228 – antidepressant

Benziodarone 0.336 * vasodilator

Buformin 0.489 * antidiabetic drug: induces lactic acidosis

Cerivastatin (3R,5S) 0.322 * statin; cholesterol reducer

Cisapride 0.518 ** hERG 5HT₄ agonist

Danazol 0.632 ** AR synthetic steroid: increased risk for liver tumors

Diethylstilbestrol 0.733 *** ERα non-steroidal estrogen: teratogenic

Fenfluramine 0.497 * anti-obesity drug: pulmonary hypertension

Hydromorphone 0.528 ** GR analgesic

Levacetylmethadol 0.533 ** GR treatment of opioid addiction
LSD 0.435 * semi-synthetic psychedelic drug: low toxicity

Lumiracoxib 0.238 – NSAID (COX-2)

Methaqualone 0.294 – sedative: several side effects (some severe)

Mibefradil 0.748 *** GR treatment of hypertension, angina pectoris

Nimesulide 0.305 * NSAID

Nomifensine (R/S) 0.304 / 0.319 * norepinephrine-dopamine reuptake inhibitor

Pemoline (R/S) 0.172 / 0.135 – ADHD, narcolepsy

Phenformin 0.485 * antidiabetic drug: induces lactic acidosis

Phenylpropanolamine (1R,2S) 0.343 * decongestant

Repaglinide 0.328 * treatment of type II diabetes

Rofecoxib 0.583 ** ERβ non-steroidal anti-inflammatory drug: increased risk of heart attack

Tegaserod 0.451 * treatment of IBS and constipation

Temafloxacin 0.401 * fluoroquinolone antibiotic

Temazepam (R/S) 0.285 / 0.392 * 3-hydroxy benzodiazepine: several side effects (some severe)

Terfenadine (R/S) 0.609 / 0.747 *** GR antihistamine: cardiotoxic

Thalidomide (R/S) 0.238 / 0.369 * sedative hypnotic: teratogenic

Tienilic acid 0.275 – uric acid lowering: hepatotoxic

Tolrestat 0.223 – aldose reductase inhibitor

Triazolam 0.401 * sedative: serious side effects

Troglitazone (R/S) 0.594 / 0.607 ** AhR anti-diabetic, anti-inflammatory: hepatotoxic

Trovafloxacin 0.505 ** GR antibiotic

Ximelagatran 0.435 * anticoagulant

Zimelidine 0.477 * selective serotonin reuptake inhibitor: neuropathic

³ The wTP refers to the computed toxic potential (cf. above) and may not be linked to the withdrawal of a compound.

7. Designer Drugs

Compound Weighted toxic potential wTP class Main target Comments

2C-B 0.510 ** GR psychedelic: several side effects

2C-C 0.447 * psychedelic

2C-E 0.382 * psychedelic: restricted used in several countries

2C-I 0.505 ** hERG recreational drug, entheogenic: illegal in the EU

2C-T-2 0.428 * psychedelic, entheogenic

2C-T-21 0.311 * psychedelic

2C-T-7 0.433 * hallucinogenic: many side effects; can be lethal

4-Acetoxy-DIPT 0.401 * hallucinogenic

Allylescaline 0.452 * psychedelic drug

Benzylpiperazine 0.439 * recreational drug: various side effects; renal toxicity

BOH (R/S) 0.398 / 0.452 * psychoactive drug (entactogen, psychedelic)

1-(3-Chlorophenyl)piperazine 0.448 * 5-HT receptor agonist: some side effects

Cyclopropylmescaline 0.442 * psychedelic drug

Desmethylprodine 0.366 * opioid analgesic, recreational drug

Diisopropyltryptamine 0.220 – psychedelic, hallucinogenic: some side effects

2,5-Dimethoxy-4-bromoamphetamine 0.579 ** GR psychedelic, hallucinogenic

Dipropyltryptamine 0.226 – psychedelic

α-Ethyltryptamine (R/S) 0.352 / 0.455 * psychoactive drug: withdrawn

5-MeO-AMT (R/S) 0.452/ 0.568 ** GR psychedelic: various side effects; can be fatal; illegal in the US

5-MeO-DMT 0.352 * psychedelic: various side effects; restricted used in several countries

Methylbenzylpiperazine 0.347 * stimulant drug

3,4-Methylenedioxyethylamphetamin (R/S) 0.446 / 0.369 * MDEA: psychedelic, stimulant

3,4-Methylenedioxy-N-methylamphetamin (R/S) 0.374 / 0.351 * MDMA: psychedelic, stimulant

3,4-Methylenedioxymethamphetamin (R/S) 0.388 / 0.439 * Ecstasy: psychedelic, ampathogenic: possibly neurotoxic

3-Methylfentanyl 0.479 * opioid analgesic: several side effects; has caused many deaths

α-Methylfentanyl (R/S) 0.335 / 0.537 ** GR opioid analgesic: several (including severe) side effects

α-Methyltryptamine (R/S) 0.543 / 0.453 ** hERG antidepressant

5-Methoxy-diisopropyltryptamin 0.411 * psychedelic: endocrine disruptor; illegal in many countries

Parafluorofentanyl 0.557 ** GR opioid analgesic: various side effects (some life-threatening)

α-Pyrrolidinopropiophenone (R/S) 0.428 / 0.350 * stimulant drug

Tenocyclidine 0.374 * dissociative anesthetic drug

Trifluoromethylphenylpiperazin 0.359 * recreational drug: various side effects

8. Various Drugs

Compound Weighted toxic potential wTP class Main target Comments

Abafungin 0.625 ** GR antifungal drug

Abanoquil 0.371 * α1-adrenergic antagonist

Abecarnil 0.383 * anxiolytic drug

Abiraterone 0.740 *** ERα under investigation for prostate cancer treatment

Abunidazole (R/S) 0.228 / 0.098 – antifungal drug

Acaprazine 0.336 * nootropic drug

Acemetacin 0.224 – treatment of arthritis: moderate toxicity, not teratogenic

Acenocoumarol (R/S) 0.191 / 0.143 – anticoagulant

Acepromazine 0.498 * sedative, antiemetic drug

Aceprometazine (R/S) 0.478 / 0.484 * neuroleptic, antihistamine

Acetazolamide 0.342 * carbonic anhydrase inhibitor: not toxic

Acetohexamide 0.471 * treatment of diabetes mellitus type 2

Acetophenazine 0.605 ** GR antipsychotic

Aciclovir 0.169 – analgesic

Adafenoxate 0.677 ** GR nootropic in rats

Adapalene 0.315 * treatment of acne and pilaris keratosis

Afimoxifene 0.469 * selective estrogen-receptor modulator

Agomelatine 0.241 – antidepressant

Alaproclate (R/S) 0.615 / 0.622 ** GR/hERG antidepressant

Albendazole 0.222 – treatment of worm infestations

Alclofenac 0.277 – NSAID

Alclometasone 0.403 * anti-inflammatory, antipruritic, antiallergic, vasoconstrictive agent

Aldesulfone 0.145 – treatment of leprosy

Alfadolone 0.568 ** ERβ neuroactive steroid with hypnotic effects

Alfaxalone 0.634 ** ERα general anesthetic

Alfetamine (R/S) 0.399 / 0.391 * antidepressant (not marketed)

Alfentanil 0.242 – analgesic drug (used as anesthesia in surgery)

Alfuzosin 0.489 * treatment of benign prostatic hyperplasia

Alimemazine (R/S) 0.562 / 0.367 ** GR antipruritic drug

Alizapride 0.379 * antiemetic drug

Allantoin (R/S) 0.238 / 0.373 * keratolytic agent: non-toxic

Allobarbital 0.213 – anticonvulsant

Allopurinol 0.117 – treatment of hyperuricemia

Alminoprofen (R/S) 0.182 / 0.240 – NSAID

Almotriptan 0.356 * treatment of migraine headaches

Amantadine 0.456 * antiviral and antiparkinsonian drug

Amcinonide 0.780 *** GR corticosteroid

Amiloride 0.282 – potassium-sparing diuretic

Aminorex (R/S) 0.256 / 0.178 – anorectic stimulant drug

Amiodarone 0.548 ** hERG antiarrhythmic agent

Amitraz 0.318 * antiparasitic drug

Amlexanox 0.281 – antiallergic, anti-inflammatory

Amodiaquine 0.587 ** GR antimalarial and anti-inflammatory drug

Amoxapine 0.683 ** GR antidepressant drug

Amsacrine 0.558 ** GR antineoplastic agent

Anagrelide 0.388 * treatment of chronic myeloid leukemia

Anecortave 0.327 * angiogenesis inhibitor

Aniracetam 0.249 – nootropic, more potent than piracetam: some side effects

Anisindione 0.342 * anticoagulant

Antazolin 0.538 ** GR antihistamine drug

Apomorphine 0.459 * dopaminergic agonist (D1/D2)

Apraclonidine 0.348 * treatment of glaucoma

Aprinidine 0.563 ** GR antiarrhythmic agent

Asenapine 0.542 ** GR treatment of schizophrenia

Aspirin 0.160 – antipyretic drug

Astemizole 0.688 ** hERG antihistamine drug

Atovaquone 0.423 * treatment of PCP, toxoplasmosis and malaria

Azatadine 0.512 ** GR antihistamine

Azathioprine 0.021 – immunosuppressant

Baclofen (R/S) 0.181 / 0.216 – spasticity treatment

Balsalazide 0.133 – treatment of inflammatory bowel disease

Bamipine 0.451 * antipruritic drug

Barbital 0.060 – first commercially marketed barbiturate

Bendazac 0.279 – NSAID

Bendroflumethiazide (R/S) 0.531 / 0.376 ** ERβ treatment of hypertension

Bentiromide (R/S) 0.164 / 0.135 – treatment of chronic pancreatis: withdrawn in the USA and Canada

Benzatropine (cis/trans) 0.517 / 0.628 ** GR treatment of drug-induced parkinsonims, akathisia and acute dystonia

Benzbromarone 0.610 ** GR uricosuric agent, treatment of gout

Benzocaine 0.270 – local anesthetic

Benzoctamine 0.526 ** GR sedative, anxiolytic

Benzydamine 0.410 * NSAID

Bepridil (R/S) 0.504 / 0.394 ** GR treatment of angina

Betahistine 0.233 – treatment of balance disorders

Betamethasone 0.459 * anti-inflammatory, immunosuppressive drug

Betamipron 0.284 – prevention of (panipenem-caused) nephrotoxicity

Betanidine 0.367 * sympatholytic drug

Betaxolol (R/S) 0.436 / 0.408 * treatment of hypertension and glaucoma

Betazole 0.466 * H₂ receptor agonist

Bevantolol (R/S) 0.497/ 0.563 ** GR calcium-channel blocker

Bexarotene 0.473 * antienoplastic agent

Bezafibrate 0.344 * treatment of hyperlipidemia

Bezitramide 0.656 ** GR analgesic drug

Bicifadine (RR/SS) 0.427 / 0.425 * analgesic drug

Biclotymol 0.357 * phenolic antiseptic

Bifonazole (R/S) 0.466 / 0.363 * antifungal drug

Binospirone (R/S) 0.612 / 0.660 ** GR partial 5HT_1A agonist; anxiolytic effects

Biperiden (R/S) 0.549 / 0.573 ** GR antiparkisonian agent

Biricodar 0.488 * treatment of ovarian cancer

Bisacodyl 0.210 – laxative drug

Bisoprolol (R/S) 0.362 / 0.446 ** GR treatment of cardiovascular diseases

Bisoxatin 0.367 * laxative drug

Bitolterol (R/S) 0.489 / 0.424 * treatment of asthma and COPD

Blonanserin 0.692 ** GR antipsychotic drug

Bopindolol (R/S) 0.590 / 0.512 ** GR β-blocker; acts as prodrug for pindolol

Bornaprine (R/S) 0.581 / 0.460 ** hERG anticholinergic drug

Bosentan 0.362 * treatment of pulmonary artery hypertension

Bretazenil 0.347 * anxiolytic drug

Brifentanil 0.272 – opioid analgesic

Brimonidine 0.407 * treatment of open-angle glaucoma or ocular hypertension

Brinzolamide (R/S) 0.583 / 0.522 ** GR treatment of glaucoma or ocular hypertension

Brivudine 0.260 – antiviral drug

Brodimoprim 0.199 – antibacterial drug

Brofaromine 0.576 ** hERG treatment of depression and anxiety

Bromazepam 0.308 * anxiolytic drug; at higher doses sedative and hypnotic

Bromazine (R/S) 0.616 / 0.510 ** GR antihistamine

Bromfenac 0.253 – NSAID

Bromhexine 0.377 * mucolytic agent

Bromopride 0.287 – antiemetic drug

Bromperidol 0.698 ** GR treatment of schizophrenia

Brompheniramine (R/S) 0.496 / 0.315 * antihistamine

Brotizolam 0.210 – anxiolytic, anticonvulsant, sedative

Broxaterol (R/S) 0.273 / 0.346 * β-adrenergic agonist

Broxyquinoline 0.114 – anti-infective agent

Bucolome 0.241 – analgesic, anti-inflammatory

Budipine 0.490 * dopaminergic agent

Budralazine 0.334 * vasodilator

Bufexamac 0.308 * anti-inflammatory, analgesic

Buflomedil 0.387 * vasoactive drug (treatment of claudication)

Bumadizone (R/S) 0.230 / 0.281 – NSAID

Bumetanide 0.233 – loop diuretic: high plasma levels are toxic to animals

Bunaftine 0.537 ** GR antiarrhythmic agent

Bunazosin 0.391 * α₁-antagonist

Buparvaquone 0.385 * antiprotozoal drug

Bupivacaine 0.395 * local anesthetic

Busulfan 0.278 – chemotherapy drug

Butaclamol 0.564 ** GR antipsychotic

Butalamine 0.581 ** GR vasodilator

Butamirate (R/S) 0.262 / 0.220 – cough suppressant

Butaxamine 0.263 – β₂-selective blocker

Butenafine 0.511 ** GR antifungal agent

Butoconazole (R/S) 0.330 / 0.336 * antifungal agent

Butriptyline (R/S) 0.534 / 0.624 ** GR antidepressant

Cabergoline 0.434 * dopamine-receptor agonist

Cadralazine (R/S) 0.180 / 0.050 – treatment of hypertension

Cafedrine (RR/RS/SR/SS) 0.527 / 0.436 / 0.471 / 0.457 ** hERG cardiac stimulant

Camazepam (R/S) 0.192 / 0.175 * anxiolytic, anticonvulsant, sedative

Camostat 0.379 * serine protease inhibitor

Candesartan 0.295 – treatment of hypertension

Canrenone 0.578 ** ERα metabolite of spironolactone

Captodiame (R/S) 0.366 / 0.473 * anxiolytic drug

Captopril 0.187 – treatment of hypertension

Carazolol (R/S) 0.534 / 0.465 ** hERG anxiolytic, anticonvulsant, sedative

Carbamazepine 0.386 * anticonvulsant

Carbazochrome (R/S) 0.421 / 0.408 * antihemorrhagic agent

Carbenoxolone 0.104 – treatment of inflammation

Carbidopa 0.294 – treatment of Parkinson's disease

Carbimazole 0.146 – treatment of hyperthroidism

Carbinoxamine (R/S) 0.331 / 0.441 * antihistamine

Carboquone (R/S) 0.200 / 0.172 – chemotherapeutic agent

Carbocromen 0.393 * vasodilator

Carbutamide 0.259 – anti-diabetic drug

Carbuterol (R/S) 0.496 / 0.535 ** hERG β₂-agonist

Carfentanyl 0.534 ** GR opioid analgesic

Carisoprodol (R/S) 0.331 / 0.239 – muscle relaxant

Carmofur 0.233 – antienoplastic agent

Caroverine 0.557 ** GR treatment of gastrointestinal disorders

Carperidine 0.281 – opioid analgesic

Carprofen (R/S) 0.411 / 0.256 * NSAID used by veterinarians

Carteolol (R/S) 0.612 / 0.607 ** GR treatment of glaucoma

Celiprolol (R/S) 0.487 / 0.382 * antihypertensive

Centrophenoxine 0.375 * nootropic (senile dementia, Alzheimer): some side effects

Cetiedil (R/S) 0.568 / 0.455 ** GR vasodilator

Cetraxate 0.212 – cytoprotective agent

Cevimeline 0.595 ** hERG parasympathomimetic

Chiniofon 0.417 * antiprotozoal agent

Chlorambucil 0.137 – chemotherapeutic drug

Chlorbenzoxamine (R/S) 0.563 / 0.643 ** GR treatment of gastrointestinal disorders

Chlorcyclizine (R/S) 0.724 / 0.405 *** GR antihistamine

Chlormadinone 0.520 ** ERα proestrogen (added to contraceptives)

Chlormezanone (R/S) 0.322 / 0.268 * anxiolytic

Chloropyramine 0.570 ** GR first-generation antihistamine

Chloroquine (R/S) 0.537 / 0.542 ** GR treatment and prevention of malaria

Chlorothen 0.487 * antihistamine

Chlorothiazide 0.101 – diuretic, antihypertensive

Chlorotrianisene 0.480 * synthetic estrogen

Chlorphenamine (R/S) 0.410 / 0.320 * first-generation antihistamine

Chlorphenesin (R/S) 0.192 / 0.335 * muscle relaxant

Chlorphenoxamine (R/S) 0.360 / 0.462 * antipruritic

Chlorpromazine 0.472 * treatment of schizophrenia

Chlorpropamide 0.264 * treatment of type-2 diabetes

Chlorprothixene 0.427 * antipsychotic drug

Chlorzoxazone 0.348 * muscle relaxant

Ciclazindol (R/S) 0.661 / 0.545 ** GR antidepressant

Ciclesonide 0.540 ** GR treatment of obstructive airway diseases

Cicletanine (R/S) 0.500 / 0.532 ** AR/AhR low-ceiling diuretic drug

Ciclobendazole 0.374 * antihelmintic drug

Ciclonicate 0.271 – vasodilating agent

Ciclopirox 0.163 – antifungal agent

Cilansetron 0.353 * 5HT₃ antagonist

Cilnidipine 0.442 * 5HT₃ antagonist

Cilostazol 0.369 * treatment of intermittent claudication

Cimetidine 0.183 – H₂-receptor antagonist

Cimoxatone (R/S) 0.400 / 0.427 * antidepressant

Cinacalcet 0.655 ** GR calcimimetic

Cinanserin 0.465 * serotonin receptor antagonist

Cinchocaine 0.354 * local anesthetic

Cinchophen 0.390 * analgesic drug

Cinnarizine (cis/trans) 0.669 / 0.682 ** GR treatment of motion sickness

Cinolazepam (R/S) 0.251 / 0.309 * anxiolytic, anticonvulsant, sedative

Cipemastat 0.272 – anti-arthritis agent

Ciramadol 0.405 * opioid analgesic

Cirazoline 0.356 * α-adrenergic receptor agonist

Clamoxyquine 0.607 ** GR antiamoebic, antidhiarrheal drug

Clebopride 0.483 * antiemetic drug

Clefamide 0.324 * antiprotozoal agent

Clemastine 0.481 * antihistamine

Clemizole 0.514 ** GR antihistamine

Clenbuterol (R/S) 0.519 / 0.544 ** GR bronchodilator, decongestant

Clentiazem (R/S) 0.684 / 0.470 ** GR calcium-channel blocker

Clevidipine 0.261 – calcium-channel blocker

Climazolam 0.467 * anesthetic in veterinary medicine

Clioquinol 0.258 – antifungal and antiprotozoal drug

Clobazam 0.418 * anxiolytic drug

Clobenzorex (R/S) 0.347 / 0.356 * appetite suppressor (anorectic)

Clobetasol 0.448 * treatment of eczema and psoriasis

Clobetasone 0.469 * treatment of eczema

Clobutinol (RR/RS/SR/SS) 0.352 / 0.298 / 0.380 / 0.372 * cough suppressant

Clocinizine (R/S) 0.621 / 0.710 *** GR antihistamine

Clodantoin (RR/RS/SR/SS) 0.212 / 0.166 / 0.119 / 0.250 – drug used in gynecology

Clofazimine 0.745 *** GR treatment of leprosy

Clofedanol (R/S) 0.367 / 0.405 * cough suppressant

Clofenciclan 0.504 ** GR stimulant drug

Clofibrate 0.151 – lipid-lowering agent

Clomethiazole 0.126 – sedative, hypnotic

Clomifene (E/Z) 0.560 / 0.731 ** hERG/GR selective estrogen receptor modulator

Clominorex (R/S) 0.309 / 0.245 * appetite suppressant

Clonazepam 0.277 – anticonvulsant, anxiolytic

Clonidine 0.321 * antihypertensive

Clonitazene 0.663 ** GR opioid analgesic

Cloperastine (R/S) 0.583 / 0.640 ** GR cough suppressant

Clopenthixol (cis/trans) 0.489 / 0.527 ** GR antipsychotic drug

Clorazepate (R/S) 0.249 / 0.301 * anxiolytic, anticonvulsant, sedative

Clorexolone 0.314 * low-ceiling sulfonamide diuretic

Clorgiline 0.098 – antidepressant

Cloricromen 0.492 * platelet-aggregation inhibitor

Clorindione 0.437 * vitamin K antagonist

Cloridarol (R/S) 0.197 / 0.230 – vasodilator

Cloroqualone 0.268 – sedative, antitussive

Clotrimazole 0.260 – sedative, antitussive

Cloxazolam (R/S) 0.436 / 0.290 – anxiolytic, anticonvulsant, sedative

Clozapine 0.389 * antifungal medication

CNQX (6-cyano-7-notroquinoxaline-2,3,-dione) 0.198 – AMPA/kainate receptor antagonist

Coluracetam 0.333 * treatment of ischemic retinopathy: little or no toxicity

Cortisol 0.698 ** ERβ steroid hormone: treatment of allergies and inflammation

Cortisone 0.461 * steroid hormone: suppression of the immune system

Cortivazol 0.619 ** GR glucocorticoid receptor agonist

Croconazole 0.385 * antifungal agent

Cromoglicic acid 0.185 – mast-cell stabilizer

Crotamiton 0.135 – antipruritic

Cyclandelate (R/S) 0.258 / 0.273 – vasodilator

Cyclazodone 0.447 * stimulant drug

Cyclizine 0.461 * GR antihistamine

Cyclobenzaprine 0.538 ** GR antidepressant

Cyclofenil 0.230 * estrogen receptor modulator

Cycloguanil 0.318 * antimalarial drug

Cyclomethycaine 0.550 ** GR local anesthetic

Cyclopentolate (R/S) 0.359 / 0.250 * mydriatic and cycloplegic agent

Cypenamine (1R,2S/1S,2R) 0.473 / 0.501 ** GR stimulant drug

Cyprazepam 0.427 * benzodiazepin (not approved for sale in the US)

Cyproheptadine 0.509 ** GR antihistamine

Cyproterone 0.495 * antiandrogen (treatment of precocious puberty)

Dacemazine 0.361 * antispasmodic, antitussive

Dantrolene 0.221 – muscle relaxant

Dapiprazole 0.484 * mydriasis-reversing agent

Dapoxetine 0.482 * short-acting SSRI drug

Dapsone 0.450 * treatment of leprae

Darifenacin 0.587 ** GR treatment of urinary incontinence

Darodipine 0.230 – calcium channel blocker

Darunavir 0.456 * treatment of HIV infection

Daunorubicin 0.462 * treatment of acute myeloid and lymphocytic leukemia

Decoquinate 0.236 – coccidiostatic agent

Deferasirox 0.218 – treatment of thalassaemia major

Deferiprone 0.059 – rationally-designed iron chelator

Dehydroepiandrosterone 0.627 ** ERα cholesterol metabolite: liver tumor inducer

Delapril 0.358 * ACE inhibitor

Delavirdine 0.400 * reverse transcriptase inhibitor

Demecolcine 0.544 ** GR chemotherapeutic agent

Denopamine 0.363 * treatment of angina

Deptropine 0.666 ** GR antihistamine with anticholinergic properties

Deracoxib 0.379 * NSAID

Desloratadine 0.556 ** hERG treatment of allergies

Desogestrel 0.595 ** AR used in hormonal contraceptives

Desomorphine 0.417 * opiate analogue

Desonide 0.515 ** GR treatment of eczema and dermatitis

Desoximetasone 0.398 * psychoactive drug

Desoxipipradrol 0.484 * treatment of various skin conditions (rashes, itching, redness)

Detomidine 0.111 – large-animal sedative primarily used in horses

Devapamil (R/S) 0.357 / 0.643 ** GR calcium channel blocker

Devazepide 0.434 * treatment of dyspepsia, gastroparesis and gastric reflux

Dexamethasone 0.332 * anti-inflammatory, immunosuppressant drug

Dexbrompheniramine 0.354 * antihistamine

Dexfenfluramine 0.411 * anorectic drug

Dexibuprofen 0.314 * NSAID

Dexketoprofen 0.299 – NSAID

Dexmedetomidine 0.186 – sedative medication

Dexmethylphenidate 0.433 * treatment of ADHD

Dexrazoxane 0.376 * protection against cardiotoxic side effects of anthracyclines

Dextromoramide (R/S) 0.382 / 0.363 * opioid analgesic

Dextromethorphan 0.615 ** GR antitussive drug

Dezocine 0.579 ** hERG opioid analgesic

Diacerein 0.283 – treatment of osteoarthritis

Diampromide (R/S) 0.449 / 0.456 * opioid analgesic

Diazepam 0.321 * anxiolytic, anticonvulsant, sedative

Diazoxide 0.369 * treatment of hypertension and insulinoma

Dibenzepin 0.444 * antidepressant

Dibrompropamidine 0.457 * antiseptic, disinfectant

Dibunate 0.425 * cough suppressant

Diclazuril (R/S) 0.498 / 0.596 ** GR cocciodiostat

Diclofenac 0.243 – analgesic: some side effects

Dicoumarol 0.264 – anticoagulant (Vitamin K antagonist)

Dicycloverine 0.393 * anticholinergic drug

Didanosine 0.313 * reverse transcriptase inhibitor

Dienestrol 0.560 ** ERβ treatment of vulvar atrophy and atrophic vaginitis

Dienogest 0.510 ** AR oral contraceptive

Diethylcarbamazine 0.057 – antihelmintic drug

Diethylthiambutene (R/S) 0.362 / 0.479 * opioid analgesic

Difemerine 0.472 * antimuscarinic

Difenoxin 0.711 *** GR opioid analgesic

Diflunisal 0.163 – generic NSAID

Dihydrocodeine 0.602 ** GR opioid analgesic

Dihydroxyphenylglycine (DHPG) 0.423 * mGluRS agonist

Diisopromine 0.351 * neutralizes spastic conditions of the biliary tract

Diloxanide furoate 0.156 – antiprotozoal drug

Diltiazem 0.505 ** GR treatment of hypertension, angina pectoris

Dimefline 0.780 *** GR respiratory stimulant

Dimethoxanate 0.489 * cough suppressant

Diminazene 0.248 – treatment of Trypanosmiasis

Diphenhydramine 0.402 * antihistamine, antiemetic, sedative, hypnotic

Diphenylpyraline 0.448 * antihistamine with psychostimulant properties

Dipivefrine (R/S) 0.291 / 0.248 * treatment of glaucoma

Dipyridamole 0.177 – inhibits thrombus formation

Ditazole 0.224 – platelet-aggregation inhibitor

Dithranol 0.310 * treatment of psoriasis

Dizocilpine 0.248 – anticonvulsant

Dobutamine (R/S) 0.490 / 0.528 ** ERβ treatment of heart failure and cardiogenic shock

Dofetilide 0.625 ** GR class III antiarrhythmic agent

Dolasetron 0.654 ** GR treatment of nausea/vomiting following chemotherapy

Domperidone 0.629 ** GR antidopaminergic drug

Dorzolamide (R/S) 0.615 / 0.442 ** GR; treatment of glaucoma, ocular hypertension

Dosulepin 0.564 ** GR antidepressant

Dotarizine 0.575 ** GR vasodilator

Doxazosin (R/S) 0.242 / 0.368 * treatment of hypertension

Doxefazepam (R/S) 0.251 / 0.204 – anxiolytic, anticonvulsant, sedative

Doxofylline 0.240 – treatment of asthma

Doxylamine (R/S) 0.349 / 0.370 * short-term sedative

Dronedarone 0.629 ** GR treatment of cardiac arrhythmias

Droperidol 0.362 * antiemetic, antipsychotic

Dropropizine (R/S) 0.138 / 0.263 – cough suppressant

Drospirenone 0.685 ** ERβ oral contraceptive

Drotaverine 0.486 * antispasmodic drug

Drotebanol 0.414 * cough suppressant

Droxicam 0.394 * NSAID

Droxypropine 0.478 * cough suppressant

Dutasteride 0.738 *** GR treatment of benign prostatic hyperplasia

Dyclonine 0.399 * oral anesthetic (throat lozenges)

Dydrogesterone 0.649 ** ERβ progesterone hormone

Ebastine 0.639 ** GR antihistamine

Econazole (R/S) 0.269 / 0.308 * antifungal medication

Efaroxan (R/S) 0.294 / 0.424 * &alpha₂-blocker

Eflornithine 0.420 * treatment of African trypanosomiasis

Efloxate 0.413 * GR vasodilator

Efonidipine (R/S) 0.496 / 0.647 ** GR calcium channel blocker

Elesclomol 0.140 – chemotherapy adjuvant

Eletriptan 0.739 *** GR treatment of migraine headaches

Elfazepam 0.340 * sedative, anxiolytic

Eliprodil (R/S) 0.461 / 0.542 ** GR neuroprotective, anticonvulsant

Ellipticine 0.412 * anticancer drug

Eltrombopag 0.241 – treatment of thrombocytopenia

Embramine (R/S) 0.556 / 0.357 ** GR antihistamine

Embutramide 0.340 * sedative drug

Emedastine 0.431 * antihistamine

Emopamil (R/S) 0.370 / 0.520 ** GR calcium channel blocker

Enadoline 0.646 ** GR selective κ-opioid agonist

Enalaprilate 0.230 – treatment of hypertension

Encainide (R/S) 0.580 / 0.479 ** GR antiarrhythmic agent

Endralazine 0.323 * treatment of hypertension

Enoximone 0.540 ** ERβ treatment of congestive heart failure

Ensaculin 0.514 ** GR treatment of dementia

Entacapone 0.072 – treatment of Parkinson's disease

Entecavir 0.310 * treatment of hepatitis B

Epalrestat 0.355 * treatment of diabetic neuropathy

Eperisone (R/S) 0.381 / 0.413 * antispasmodic drug

Epinastine (R/S) 0.660 / 0.410 ** GR antihistamine

Epirizole 0.313 * NSAID

Epirubicin 0.370 * chemotherapeutic drug

Eplerenone 0.615 ** GR treatment of chronic heart failure

Eprosartan (cis/trans) 0.345 / 0.348 * treatment of high blood pressure

Eprazinone (RR/RS/SR/SS) 0.558 / 0.584 / 0.474 / 0.638 ** GR mucolytic drug

Erdosteine (R/S) 0.069 / 0.056 – mucolytic drug

Ergonovine 0.634 ** GR medical use in obstetrics

Esmolol (R/S) 0.289 / 0.271 – β₁-receptor blocker

Estazolam 0.270 – anxiolytic, anticonvulsant, sedative

Estramustine 0.344 * treatment of prostate cancer

Estrone sulfate 0.361 * sulfated estrone (estrogenic hormone)

Etacrynic acid 0.208 – loop diuretic

Etafedrine (RR/RS/SR/SS) 0.265 / 0.319 / 0.296 / 0.356 * bronchodilator

Etafenone 0.568 ** GR vasodilator

Etamivan 0.271 – respiratory stimulant

Etaqualone 0.303 * sedative and hypnotic properties

Etazolate 0.232 – anxiolytic drug

Ethadione 0.091 – anticonvulsant

Ethenzamide 0.181 – analgesic, NSAID

Ethinamate 0.049 – sedative-hypnotic medication

Ethinylestradiol 0.833 **** ERβ oral contraceptive

Ethisterone 0.703 *** ERα progestogen hormone

Ethoheptazine (R/S) 0.411 / 0.405 * opioid analgesic

Ethosuximide (R/S) 0.062 / 0.062 – anticonvulsant

Ethotoin (R/S) 0.162 / 0.262 – anticonvulsant

Ethoxzolamide 0.282 – treatment of glaucoma

Ethylbiscoumacetate 0.256 – vitamin K antagonist

Ethylloflazepate (R/S) 0.351 / 0.313 * anxiolytic, anticonvulsant, sedative

Eticyclidine 0.511 ** hERG anesthetic, hallucinogenic

Etidocaine (R/S) 0.540 / 0.404 ** GR local anesthetic

Etifoxine (R/S) 0.631 / 0.637 ** GR anxiolytic, anticonvulsant

Etilefrine (R/S) 0.158 / 0.179 – cardiac stimulant

Etiracetam (R/S) 0.059 / 0.040 – nootropic: mild side effects

Etizolam 0.205 – amnesic, anxiolytic, anticonvulsant, hypnotic, sedative

Etodolac (R/S) 0.221 / 0.219 – NSAID

Etofamide 0.299 – antiprotozoal drug

Etofenamate 0.188 – treatment of joint and muscular pain

Etofibrate 0.161 – hybrid drug: clofibrate and niacin

Etomidate 0.230 – general anesthetic, sedative

Etonitazene 0.518 ** GR analgesic

Etonogestrel 0.664 ** AR hormonal contraceptive

Etoperidone 0.314 * antidepressant

Etoricoxib 0.382 * COX-2 selective inhibitor

Etoxadrol 0.532 ** GR dissociative anesthetic

Etravirine 0.312 * treatment of HIV

Etretinate 0.395 * treatment of severe psioriasis

Etybenzatropine 0.617 ** GR treatment of Parkinson's disease

Etymemazine (R/S) 0.572 / 0.303 ** GR antihistamine

Eupatilin 0.475 * treatment of acid-related disorders

Exemestane 0.405 * treatment of breast cancer

Fadrozole (R/S) 0.251 / 0.284 – treatment of breast cancer

Falipamil 0.462 * calcium channel blocker

Famciclovir 0.123 – antiviral drug

Famotidine 0.302 * treatment of peptic ulcer disease

Fananserin 0.659 ** GR sedative, antipsychotic

Fasoracetam (R/S) 0.135 / 0.103 – nootropic

Fasudil 0.557 ** hERG treatment of cerebral vasospasm

Febuxostat 0.243 – treatment of hyperuricemia

Fedrilate (R/S) 0.458 / 0.415 * cough suppressant

Felbamate 0.031 – anticonvulsant

Felbinac 0.316 – NSAID

Felodipine 0.257 – calcium channel blocker

Femoxetine 0.759 *** GR antidepressant

Fenbendazole 0.414 * anthelmintic agent

Fenbufen 0.217 – NSAID

Fendiline (R/S) 0.574 / 0.634 ** AR / GR calcium channel blocker

Fenpiprane 0.528 ** GR treatment of gastrointestinal disorders

Fenethylline (R/S) 0.452 / 0.550 ** GR stimulant drug

Fenobam 0.269 – anxiolytic drug

Fenoldopam (R/S) 0.396 / 0.245 – dopamine D_1A receptor agonist

Fenoprofen (R/S) 0.299 / 0.277 – NSAID

Fenoterol (RR/RS/SR/SS) 0.371 / 0.431 / 0.418 / 0.378 * asthma medication

Fenoverine 0.477 * antispasmodic drug

Fenozolone (R/S) 0.466 / 0.499 * stimulant drug

Fenoxazoline 0.284 – nasal preparation

Fenproporex (R/S) 0.398 / 0.453 * appetite suppressant

Fenquizone (R/S) 0.420 / 0.543 ** AhR diuretic

Fenretinide 0.142 – treatment of cancer, cystic fibrosis, arthritis, acne, psoriasis

Fenspiride 0.668 * GR treatment of certain respiratory diseases

Fentanyl 0.423 ** opioid analgesic

Fentiazac 0.343 * treatment of joint and muscular pain

Fenticonazole (R/S) 0.470 / 0.345 * antifungal drug

Feprazone 0.349 * treatment of joint and muscular pain

Fexofenadine (R/S) 0.444 / 0.484 * antihistamine

Finasteride 0.688 ** AR antiandrogen: birth defects, depression

Fipexide 0.488 * nootropic (senile dementia): adverse reactions, out of use

Flavoxate 0.610 ** GR anticholinergic drug; muscle relaxant

Flecainide 0.588 ** GR antiarryhthmic agent

Fleroxacin 0.364 * antibacterial drug

Flesinoxan 0.306 * anxiolytic drug

Fletazepam 0.186 – sedative, anxiolytic

Flibanserin 0.422 * antidepressant; lifestyle drug

Flopropione 0.147 – antispasmodic drug

Florantyrone 0.450 * treatment of biliary dyskinesia

Florfenicol 0.214 – treatment of bovine respiratory disease

Flosequinan 0.225 – vasodilator

Fluacizine 0.551 ** GR antidepressant

Flubendazole 0.378 * anthelmintic

Fluconazole 0.019 – antifungal drug

Fludiazepam 0.320 * anxiolytic, anticonvulsant, sedative

Fludorex (R/S) 0.520 / 0.419 ** GR appetite suppressant

Fludrocortisone 0.412 * synthetic corticosteroid

Fludroxycortide 0.781 *** GR synthetic steroid (anti-inflammatory drug)

Flufenamic acid 0.197 – NSAID

Fluindione 0.376 * vitamin K antagonist

Flumazenil 0.295 – benzodiazepine antidote

Flumedroxone 0.462 * corticosteroid (treatment of migraine)

Flumetasone 0.381 * corticosteroid (treatment of otitis externa)

Fluminorex (R/S) 0.336 / 0.299 * appetite suppressant

Flunarizine 0.580 ** GR prophylaxis of migraine

Flunisolide 0.548 ** GR corticosteroid (treatment of allergic rhinitis)

Flunixin 0.156 – NSAID

Flunoxaprofen 0.356 * NSAID

Fluocortin 0.357 * corticosteroid

Fluocortolone 0.471 * glucocorticoid (treatment of hemorrhoids)

Fluorometholone 0.608 ** ERα corticosteroid (used after laser-based refractive surgery)

Fluorouracil 0.111 – antimetabolite (cancer treatment)

Flupentixol (E/Z) 0.544 / 0.447 * antipsychotic drug

Fluphenazine 0.557 ** GR antipsychotic drug

Flupirtine 0.519 ** AhR analgesic

Fluproquazone 0.468 * analgesic, antipyretic, anti-inflammatory

Flurbiprofen (R/S) 0.372 / 0.335 * NSAID

Fluspirilene 0.605 ** GR treatment of schizophrenia

Flutamide 0.237 – antiandrogen, treatment of prostate cancer

Flutazolam (R/S) 0.257 / 0.300 * sedative, muscle relaxant, anticonvulsant, anxiolytic

Flutemazepam (R/S) 0.279 / 0.477 * sedative, anxiolytic

Flutoprazepam 0.374 * sedative, hypnotic, anxiolytic, anticonvulsant

Flutrimazole (R/S) 0.329 / 0.521 ** GR antifungal agent

Folinic acid (RR/SR) 0.167 / 0.187 – adjuvant used in cancer chemotherapy

Formestane 0.355 * treatment of breast cancer

Forodesine 0.328 * treatment of chronic lymphocytic leukemia

Fosazepam 0.377 * sedative, anxiolytic

Fosfestrol 0.116 – antienoplastic agent

Fosinopril 0.492 * treatment of hypertension

Fosphenytoin 0.324 * treatment of epileptic seizures

Frovatriptan 0.656 ** GR treatment of migraine headaches

Furethidine (R/S) 0.440 / 0.663 ** GR opioid analgesic

Furfenorex (R/S) 0.179 / 0.212 – appetite suppressant

Furosemide 0.235 – loop diuretic: renal toxicity in rats

Gabapentin 0.446 * treatment of epilepsy

Gabexate 0.268 – treatment of pancreatitis

Gaboxadol 0.138 – experimental sleeping pill

Gacyclidine 0.444 * neuroprotective agent

Galantamine 0.438 * treatment of Alzheimer's disease: gastrointestinal syndromes

Gallamine 0.483 * muscle relaxant

Gallopamil (R/S) 0.571 / 0.331 ** GR calcium channel blocker

Ganaxolone 0.648 ** GR sedative, anxiolytic, anticonvulsant

Ganciclovir 0.086 – antiviral drug

Gapicomine 0.424 * coronary vasodilator

Gedocarnil 0.350 * anxiolytic drug

Gefitinib 0.547 ** GR treatment of certain types of cancer

Gemfibrozil 0.274 – lipid-level lowering drug

Gepefrine (R/S) 0.285 / 0.283 – cardiac stimulant

Gestodene 0.499 * hormonal contraceptive

Gilutensin 0.564 ** GR treatment of hypotension

Girisopam 0.424 * anxiolytic drug

Glibenclamide 0.492 * antidiabetic drug

Glimepiride 0.579 ** hERG antidiabetic drug

Glipizide 0.338 * antidiabetic drug

Gliquidone 0.437 * antidiabetic drug

Glutethimide (R/S) 0.143 / 0.221 – hypnotic sedative

Glyclopyramide 0.327 * antidiabetic drug

Granisetron 0.610 ** hERG treatment of nausea and vomiting following chemotherapy

Griseofulvin 0.259 – antifungal drug

Guaifenesin (R/S) 0.343 / 0.420 * expectorant drug

Guanadrel (R/S) 0.369 / 0.451 * antihypertensive agent

Guanabenz 0.472 * antihypertensive drug

Guanoxan (R/S) 0.332 / 0.602 ** GR sympatholytic drug

Halazepam 0.368 * anxiolytic, anticonvulsant, sedative, muscle relaxant

Halcinonide 0.785 *** GR corticosteroid (treatment of certain skin conditions)

Halofantrine (R/S) 0.707 / 0.395 *** GR treatment of malaria

Halofuginone 0.615 ** GR coccidiostat

Halometasone 0.509 ** GR corticosteroid

Haloperidol 0.585 * treatment of schizophrenia

Haloprogin 0.271 – treatment of athlete's foot and other fungal infections

Haloxazolam (R/S) 0.247 / 0.280 – anxiolytic

Hexacyclonate 0.037 – treatment of hyperlipoproteinemia

Hexapropymate 0.078 – hypnotic/sedative drug

Hexobarbital (R/S) 0.242 / 0.215 – hypnotic/sedative agent

Hexylcaine (R/S) 0.454 / 0.574 ** GR local anesthetic

Histapyrrodine 0.561 ** GR antihistamine with anticholinergic properties
Homochlorcyclizine (R/S) 0.523 / 0.634 ** GR antiallergic drug

Huperzine A 0.592 ** hERG neuroprotective effects: low toxicity

Hycanthone 0.451 * schistosomicide

Hydralazine 0.168 – vasodilator

Hydrochlorothiazide 0.332 * diuretic drug

Hydrocodone 0.699 ** GR semi-synthetic opioid

Hydroflumethiazide 0.251 – diuretic

Hydromorphinol 0.442 * morphine derivative (sedative, analgesic)

Hydroxychloroquine (R/S) 0.495 / 0.444 * antimalarial drug

Hydroxydione 0.469 * general anesthetic

Hydroxypethidine 0.514 ** GR opioid analgesic

Hydroxyurea 0.170 – antienoplastic drug

Hydroxyzine (R/S) 0.196 / 0.226 – first-generation antihistamine

Hymecromone 0.594 ** ERβ used in bile therapy

Ibopamine 0.313 * sympathomimetic

Ibudilast 0.227 – anti-inflammatory drug

Ibuprofen (R/S) 0.236 / 0.249 – NSAID; treatment of arthritis, fewer

Ibuproxam (R/S) 0.204 / 0.275 – NSAID

Iclaprim (R/S) 0.385 / 0.472 * treatment of skin and tissue infections

Iclazepam 0.238 – sedative, anxiolytic

Idazoxan (R/S) 0.240 / 0.272 – antidepressant (not marketed)

Idoxuridine 0.423 * antiviral drug

Ifenprodil (RR/RS/SR/SS) 0.608 / 0.397 / 0.488 / 0.417 ** GR selective inhibitor of the NMDA receptor

Iloperidone 0.610 ** GR investigational antipsychotic

Imatinib 0.000 – treatment of CML and GISTs: various side effects

Imidafenacin 0.453 * urinary antispasmodic

Imidapril 0.134 – antihypertensive

Imiquimod 0.242 – immune-response modifier

Imolamine 0.487 * vasodilator

Impromidine 0.437 * histamine H₂ receptor agonist

Imuracetam 0.348 * nootropic drug

Inamrinone 0.311 * treatment of congestive heart failure

Indanorex (R/S) 0.450 / 0.263 – appetite suppressant

Indapamide (R/S) 0.282 / 0.320 * diuretic

Indatraline 0.601 ** GR monoamine reuptake inhibitor

Indecainide 0.543 ** GR antiarrhythmic agent

Indeloxazine 0.501 ** hERG antidepressant, anticonvulsant

Indinavir 0.368 * treatment of HIV infection and AIDS

Indobufen (R/S) 0.290 / 0.356 * platelet aggregation inhibitor

Indomethazine 0.438 * NSAID

Indoprofen (R/S) 0.287 / 0.405 * NSAID

Indoramin 0.556 ** GR α-1 selective adrenoreceptor antagonist

Iprazochrome (R/S) 0.412 / 0.389 * antimigraine agent

Ipriflavone 0.598 ** AhR prevention of osteoporosis

Iprindole 0.588 ** GR antidepressant

Iproclozide 0.154 – antidepressant

Iproniazid 0.027 – antidepressant

Ipsapirone 0.474 * anxiolytic

Irinotecan 0.000 – treatment of colon cancer

Isavuconazole 0.220 – antifungal drug

Isoaminile (RR/RS/SR/SS) 0.314 / 0.280 / 0.278 / 0.289 * cough suppressant

Isobromindione 0.360 * treatment of gout

Isocarboxazid 0.173 – treatment of resistant depression

Isoconazole (R/S) 0.225 / 0.308 * antifungal drug

Isoetarine (RR/RS/SR/SS) 0.313 / 0.407 / 0.279 / 0.474 * β₂-receptor antagonist

Isoprenaline (R/S) 0.436 / 0.419 * sympathomimetic

Isosorbide mononitrate 0.298 – treatment of angina pectoris

Isothipendyl (R/S) 0.518 / 0.521 ** GR antipruritic drug

Isotretinoin 0.244 – retinoid; treatment of severe acne

Ispronicline 0.518 ** GR treatment of dementia and Alzheimer's disease: well tolerated

Isradipine 0.221 – treatment of high blood pressure

Istradefylline 0.229 – treatment of Parkinson's disease

Itopride 0.456 * treatment of functional dispepsia

Ivabradine 0.450 * antianginal drug

Kebuzone 0.330 * NSAID

Ketamine (R/S) 0.181 / 0.241 – analgesic, anesthetic

Ketanserin 0.366 * antihypertensive

Ketazolam (R/S) 0.339 / 0.382 * anxiolytic, anticonvulsant, sedative, muscle relaxant

Ketobemidone 0.463 * treatment of severe pain

Ketoconazole 0.431 * antifungal drug

Ketoprofen (R/S) 0.181 / 0.433 – NSAID

Ketorolac (R/S) 0.334 / 0.225 – NSAID

15-Ketosterol 0.706 *** ERα potential anti-atherosclerotic agent

Ketotifen 0.596 ** GR treatment of allergic reactions; prevention of asthma attacks

Lamotrigine 0.125 – anticonvulsant drug

Latanoprost 0.244 – treatment of glaucoma, ocular hypertension

Lefetamine 0.402 * psychoactive drug (stimulant and analgesic)

Leflunomide 0.319 * treatment of rheumatoid and psoriatic arthritis

Lerisetron 0.505 ** GR antinauseant

Letrozole 0.158 – treatment of hormonally-responsive breast cancer

Levallorphan 0.367 * general anesthetic

Levetiracetam 0.133 – treatment of epilepsy

Levobunolol (S) 0.311 * beta blocker, treatment of glaucoma

Levobupivacaine 0.443 * local anesthetic

Levocabastine 0.456 * treatment of allergic conjunctivitis

Levocetirizine 0.424 * non-sedative antihistamine

Levodropropizine 0.144 – cough suppressant

Levomepromazine 0.445 * neuroleptic drug

Levonantradol 0.329 * antiemetic, analgesic

Levonordefrin 0.283 – topical nasal decongestant

Levonorgestrel 0.588 ** AR hormonal contraceptive

Levorphanol 0.357 * opioid medication: treatment of severe pain

Levosimendan 0.177 – treatment of congestive heart failure

Levothyroxine 0.449 * treatment of hyperthyroidism

Lidocaine 0.459 * local anesthetic

Lidoflazine 0.657 ** GR calcium channel blocker

Linopirdine 0.455 * psychostimulant, nootropic

Liothyronine 0.628 ** TRβ thyroid hormone: various side effects

Lisinopril 0.378 * treatment of hypertension, congestive heart failure

Lobenzarit 0.172 – treatment of arthritis

Lofendazam 0.434 * sedative, anxiolytic

Lofentanil 0.535 ** GR opioid analgesic

Lofexidine (R/S) 0.424 / 0.268 * short-acting antihypertensive

Lomerizine 0.359 * treatment of migraine

Lomustine 0.100 – chemotherapeutic agent

Lonazolac 0.261 – NSAID

Lonidamine 0.316 * chemotherapeutic agent

Loperamide 0.511 ** GR treatment of diarrhea

Lopirazepam (R/S) 0.192 / 0.262 – anxiolytic, hypnotic properties (never marketed)

Loprazolam 0.307 * anxiolytic, anticonvulsant, sedative, muscle relaxant

Loratadine 0.241 – antiallergic, non-sedating

Lorcainide 0.659 ** GR antiarrhythmic agent

Loreclezole 0.226 – sedative, anticonvulsant

Lornoxicam 0.336 * NSAID

Losartan 0.171 – treatment of hypertension

Loviride (R/S) 0.212 / 0.229 – treatment of HIV

Loxapine 0.145 – treatment of schizophrenia

Loxoprofen (RR/RS/SR/SS) 0.268 / 0.283 / 0.291 / 0.220 – NSAID

Lubeluzole (R/S) 0.458 / 0.580 ** GR treatment of stroke

Lumefantrine (RE/RZ/SE/SZ) 0.578 / 0.480 / 0.656 / 0.651 ** GR antimalarial drug

Lurosetron 0.300 * serotonin 5-HT₃ receptor antagonist

Mabuterol (R/S) 0.529 / 0.567 ** GR β-adrenergic agonist

Malotilate 0.219 – treatment of liver disease

Manidipine 0.361 * calcium channel blocker

Maprotiline 0.591 ** GR antidepressant drug

Masoprocol 0.720 *** ERβ antienoplastic drug

Mazindol (R/S) 0.592 / 0.603 ** AR/GR CNS stimulant

Mebendazole 0.353 * treatment of worm infestations

Mebeverine (R/S) 0.563 / 0.492 ** GR antispasmodic drug

Mebhydrolin 0.621 ** GR antihistamine

Mebutamate (R/S) 0.191 / 0.053 – sedative, anxiolytic with antihypertensive effects

Mecamylamine 0.383 * treatment of hypertension

Meclizine (R/S) 0.317 / 0.397 * antihistamine

Meclofenamic acid 0.380 * treatment of joint and muscular pain

Meclonazepam 0.344 * sedative, anxiolytic

Mecloqualone 0.311 * sedative, hypnotic, anxiolytic

Medazepam 0.327 * anxiolytic, anticonvulsant, sedative, muscle relaxant

Medetomidine (R/S) 0.176 / 0.121 – surgical anesthetic and analgesic

Medifoxamine 0.299 – antidepressant

Medrysone 0.495 * synthetic corticosteroid used in ophthalmology

Mefenamic acid 0.380 * NSAID

Mefenorex (R/S) 0.437 / 0.354 * appetite suppressant

Mefloquine 0.622 ** hERG antimalarial drug

Mefruside 0.265 – treatment of edema and hypertension

Megestrol 0.446 * treatment of advanced breast/endometrium carcinoma

Meladrazine 0.102 – antispasmodic used in urology

Melitracen 0.398 * antidepressant

Meloxicam 0.285 – NSAID

Melperone 0.397 * antipsychotic drug

Melphalan (R/S) 0.435 / 0.527 ** ERβ chemotherapeutic drug

Menitrazepam 0.305 * sedative, anticonvulsant, muscle relaxant, anxiolytic

Mephenesin (R/S) 0.368 / 0.119 * muscle relaxant

Mephenoxalone (R/S) 0.282 / 0.219 – anxiolytic drug

Mephenytoin (R/S) 0.116 / 0.121 – anticonvulsant

Mephentermine 0.358 * cardiac stimulant

Mepitiostane 0.664 ** GR anabolic steroid

Mepivacaine 0.393 * local anesthetic

Mepixanox 0.630 * respiratory stimulant

Meprobamate 0.177 – anxiolytic drug

Meprotixol (R/S) 0.486 / 0.583 ** GR cough suppressant

Meprylcaine 0.494 * local anesthetic

Meptazinol (R/S) 0.413 / 0.368 * opioid analgesic used in obstetrics

Mepyramine 0.470 * first-generation antihistamine

Mequinol 0.225 – treatment of liver spots

Mequitazine 0.586 ** GR antihistamine

Mercaptopurine 0.081 – immunosuppressive drug

Mesalazine 0.180 – NSAID

Mesoridazine (R/S) 0.594 / 0.452 * treatment of schizophrenia

Mestanolone 0.681 ** AR 17α-methylated version of DHT

Mesterolone 0.647 ** AR orally applicable androgen (DHT derivative)

Mestranol 0.720 *** ERα oral contraceptive

Mesuximide (R/S) 0.218 / 0.219 – anticonvulsant

Metaclazepam (R/S) 0.232 / 0.231 – anxiolytic drug

Metamizole 0.352 * NSAID; powerful painkiller, fewer reducer

Metaraminol 0.406 * treatment of hypotension

Metaxalone (R/S) 0.246 / 0.211 – muscle relaxant

Metenolone 0.602 ** ERβ anabolic steroid

Methandriole 0.720 *** ERβ anabolic steroid

Methcathinone (R/S) 0.326 / 0.318 * psychoactive stimulant

Methapyrilene 0.338 * antihistamine with sedative effects

Metharbital 0.094 – anticonvulsant

Methazolamide 0.380 * treatment of glaucoma

Methdilazine (R/S) 0.490 / 0.415 * antihistamine

Methimazole 0.000 – antithyroid drug

Methocarbamol (R/S) 0.148 / 0.200 – treatment of muscle spasms

Methoxamine (RR/RS/SR/SS) 0.391 / 0.336 / 0.509 / 0.442 ** hERG treatment of supraventicular tachycardia

Methotrexate 0.222 – antifolate drug
Methoxsalen 0.318 * treatment of psoriasis, eczema

Methoxyphedrine (R/S) 0.299 / 0.393 * stimulant drug

Methoxyphenamine (R/S) 0.367 / 0.296 * NSAID

Methyldopa 0.545 ** hERG antihypertensive drug

Methylpentynol (R/S) 0.114 / 0.017 – hypnotic/sedative with anticonvulsant effects

Methylphenobarbital (R/S) 0.321 / 0.321 * sedative, anxiolytic, anticonvulsant

Methylprednisolone 0.517 ** ERα treatment of bronchial inflammation or acute bronchitis

Methysergide 0.414 * treatment of migraine headaches

Meticrane 0.279 – diuretic drug

Metirosine 0.219 – antihypertensive drug

Metitepine (R/S) 0.553 / 0.477 ** GR antipsychotic drug

Metixene 0.576 ** GR anti-parkinson drug

Metizoline 0.331 * nasal preparation

Metoclopramide 0.302 * antiemetic drug

Metolazone (R/S) 0.418 / 0.399 * thiazide diuretic

Metyrapone 0.241 – treatment of hypercortisolism

Mexiletine (R/S) 0.346 / 0.479 * antiarrhythmic agent

Mianserin (R/S) 0.618 / 0.490 ** GR antidepressant with antihistaminic/hypnosedative effects

Mibolerone 0.678 ** AR potent anabolic steroid

Miconazole 0.547 ** AhR antifungal agent

Midazolam 0.413 * anxiolytic, amnesic, hypnotic, anticonvulsant

Miglitol 0.338 * antidiabetic drug

Miglustat 0.345 * treatment of Type 1 Gaucher disease

Milnacipran 0.347 * antidepressant

Milrinone 0.256 – management of heart failure

Minaprine 0.390 – antidepressant

Minaxolone 0.492 * general anesthetic

Mirfentanil 0.451 * analgesic (μ-opioid receptor antagonist)

Miroprofen (R/S) 0.296 / 0.296 – NSAID

Misoprostol 0.299 – prevention of NSAID-induced gastric ulcers; abortifacient

Mitiglinide 0.284 – treatment of type-2 diabetes

Mitotane (R/S) 0.269 / 0.424 * treatment of adrenocortical carcinoma

Mitoxantrone 0.472 * antienoplastic agent

Mitozolomide 0.123 – antienoplastic agent

Mivazerol 0.035 – α-adrenergic agonist

Mizolastine 0.395 * non-sedating antihistamine

Mizoribine 0.260 – immunosuppressive drug

Mofebutazone (R/S) 0.315 / 0.229 * treatment of joint and muscular pain

Mofezolac 0.288 – NSAID

Molindone (R/S) 0.203 / 0.222 – treatment of schizophrenia

Mometasone furoate 0.746 *** GR treatment of eczema, psoriasis, hay fewer, asthma

Monatepil (R/S) 0.621 / 0.539 ** GR calcium channel blocker

Monobenzone 0.654 ** ERβ topical drug for medical depigmentation

Morclofone 0.406 * cough suppressant

Moricizine 0.499 * antiarrhythmic drug

Morinamide 0.068 – treatment of tuberculosis

Morniflumate 0.417 * NSAID

Morpheridine 0.644 ** GR opioid analgesic drug

Morphine 0.342 ** opioid analgesic drug: neurotoxic

Mosapramine (R/S) 0.132 / 0.517 ** GR antipsychotic drug

Mosapride 0.297 – treatment of irritable bowel syndrome

Moxastine 0.462 * antihistamine

Moxaverine 0.395 * treatment of gastrointestinal disorders

Moxisylyte 0.311 * treatment of erectile dysfunction

Moxonidine 0.299 – antihypertensive drug

Mozavaptan (R/S) 0.630 / 0.623 ** GR treatment of hyponatremia

Muzolimine (R/S) 0.155 / 0.138 – diuretic drug

Mycophenolic acid 0.243 – immunosuppressant drug

Nabilone 0.471 * synthetic cannabinoid

Nabumetone 0.467 * NSAID

Nadolol (R/S) 0.362 / 0.386 * treatment of high blood pressure, migraine and chest pain

Nafamostat 0.233 – anticoagulant

Naftifine 0.561 ** GR antifungal drug

Naftopidil (R/S) 0.373 / 0.375 * treatment of high blood pressure

Nalbuphine 0.622 ** GR synthetic opioid (analgesic)

Nalidixic acid 0.313 * bacteriostatic

Naloxone 0.518 ** GR treatment of opioid overdose

Naltrexone 0.436 * management of alcohol/opioid dependence

Naphazoline 0.430 * vasoconstrictor

Naproxen (R/S) 0.261 / 0.346 * NSAID: gastrointestinal disturbances

Naratriptan 0.526 ** GR treatment of migraine headaches

Nateglinide 0.235 – treatment of type 2 diabetes

Nealbarbital 0.161 – sedative, hypnotic

Nebracetam (R/S) 0.467 / 0.342 * antidepressant

Necopidem 0.247 – sedative, anxiolytic

Nedocromil 0.327 * treatment of asthma

Nefazodone 0.593 ** GR antidepressant; withdrawn

Nefiracetam 0.277 – nootropic: testicular toxicity in rats

Nefopam (R/S) 0.472 / 0.632 ** GR analgesic drug

Neltenexine 0.654 ** GR mucolytic drug

Nepafenac 0.277 – NSAID

Nepicastat 0.445 * treatment of congestive heart failure

Nepinalone (R/S) 0.435 / 0.506 ** GR cough suppressant

Nerisopam 0.402 * anxiolytic, neuroleptic

Neticonazole 0.185 – antifungal drug

Nevirapine 0.205 – treatment of HIV infections and AIDS

Nialamide 0.173 – antidepressant

Niaprazine (R/S) 0.565 / 0.456 ** GR sedating antihistamine

Nicardipine (R/S) 0.610 / 0.530 ** GR treatment of high blood pressure and angina

Nicergoline 0.749 *** GR treatment of senile dementia

Niclosamide 0.537 ** GR anthelmintic drug (teniacide)

Nicorandil 0.372 * treatment of angina

Nifedipine 0.197 – calcium-channel blocker; antianginal: mild side effects

Nifekalant 0.555 ** anti-arrhythmic agent

Nifenazone 0.155 – treatment of joint and muscular pain

Niflumic acid 0.253 – treatment of joint and muscular pain

Nifuratel (R/S) 0.127 / 0.072 – drug used in gynecology

Nifuroxazide 0.384 * treatment of colitis and diarrhea

Nifurtimox (R/S) 0.285 / 0.244 – treatment of Chagas disease and sleeping sickness

Nifurtoinol 0.242 – treatment of urinary tract infections

Nifurzide 0.224 – anti-infective agent

Nilutamide 0.229 – treatment of prostate cancer

Nilvadipine (R/S) 0.330 / 0.235 * calcium-channel blocker

Nimetazepam 0.368 * powerful hypnotic drug

Nimodipine (R/S) 0.310 / 0.223 – calcium-channel blocker

Nimorazole 0.175 – antiinfective agent

Niperotidine (E/Z) 0.473 / 0.543 ** GR antihistamine

Niridazole 0.165 – schistosomicide

Nisoxetine (R/S) 0.409 / 0.371 * antidepressant

Nitazoxanide 0.217 – antiprotozoal agent

Nitisinone 0.333 * treatment of hereditary tyrosinemia type 1

Nitrazepam 0.267 – powerful hypnotic drug

Nitroxoline 0.261 – antibiotic drug

Nizofenone 0.535 ** GR psychostimulant, nootropic

Nocodazole 0.333 * antienoplastic agent

Nolatrexed 0.168 – thymidylate synthase inhibitor

Nonabine (RR/RS/SR/SS) 0.298 / 0.299 / 0.273 / 0.406 * antiemetic drug

Norcodeine 0.555 ** GR opiate analogue

Nordazepam 0.367 * anticonvulsant, anxiolytic, muscle relaxant, sedative

Norfenefrine (R/S) 0.449 / 0.293 – cardiac stimulant

Norgestimate 0.593 ** ERα hormonal contraceptive

Norgestrienone 0.631 ** AR progestogen hormone

Normethadone 0.497 * cough suppressant

Normorphine 0.551 ** GR major metabolite of morphine

Ocfentanil 0.537 ** GR opioid analgesic

Ocinaplon 0.350 * anxiolytic drug

Octodrine (R/S) 0.431 / 0.339 * stimulant drug

Olopatadine 0.276 – antihistamine

Olprinone 0.302 * cardiotonic agent

Olsalazine 0.271 – treatment of inflammatory bowel disease

Oltipraz 0.174 – schistosomicide

Omapatrilat 0.410 * antihypertensive agent

Omoconazole 0.383 * antifungal drug

Ondansetron (R/S) 0.335 / 0.363 – antiemetic: few side effects

Opipramol 0.490 * anxiolytic drug

Orciprenaline (R/S) 0.323 / 0.316 * bronchodilator

Ormeloxifene 0.534 ** GR non-steroidal oral contraceptive

Ornidazole (R/S) 0.133 / 0.097 – treatment of protozoan infections (poultry industry)

Orphenadrine (R/S) 0.507 / 0.372 ** GR anticholinergic drug

Oseltamivir 0.541 ** GR antiviral drug: several adverse reactions

Oxabolone 0.623 ** AR anabolic steroid

Oxaceprol 0.240 – NSAID (treatment of osteoarthritis)

Oxametacin 0.466 * NSAID

Oxamniquine (R/S) 0.491 / 0.562 ** GR antihelmintic with schistosomicidal activity

Oxantel 0.419 * antihelmintic

Oxaprotiline (R/S) 0.512 / 0.500 ** GR antidepressant

Oxatomide 0.452 * antihistamine

Oxaprozin 0.285 – NSAID

Oxazepam (R/S) 0.499 / 0.364 * anxiolytic, anticonvulsant, sedative

Oxcarbazepine 0.515 ** hERG anticonvulsant

Oxetorone 0.618 ** GR antimigraine agent

Oxibendazole 0.374 * treatment of worm infestations in horses and pets

Oxiconazole 0.347 * antifungal medication

Oxidopamine 0.314 * dopamine derivative (neurotransmitter analogue)

Oxilorphan 0.488 * opioid antagonist

Oxiracetam (R/S) 0.077 / 0.147 – nootropic: safe compound, not toxic

Oxodipine 0.164 – calcium channel blocker

Oxolamine 0.332 * cough suppressant

Oxomemazine (R/S) 0.547 / 0.456 ** GR antihistamine

Oxpheneridine (R/S) 0.460 / 0.511 ** GR opioid analgesic

Oxprenolol (R/S) 0.375 / 0.298 * treatment of angina pectoris

Oxybutynin (R/S) 0.305 / 0.389 * anticholinergic medication

Oxycinchophen 0.362 * antirheumatic agent

Oxyclozanide 0.365 * antihelmintic agent

Oxycodone 0.552 ** GR opioid analgesic

Oxyfedrine (RR/RS/SR/SS) 0.459 / 0.508 / 0.539 / 0.483 ** hERG vasodilator

Oxymetazoline 0.263 – decongestant

Oxymorphone 0.466 * semi-synthetic opioid analgesic

Oxypertine 0.458 * antipsychotic

Oxyphenbutazone (R/S) 0.289 / 0.336 * antiemetic: few side effects

Oxyphencyclimine (R/S) 0.443 / 0.488 * antimuscarinic drug

Oxyphenisatine 0.375 * laxative

Ozagrel 0.299 – improvement of motor coordination

Pagoclone (R/S) 0.385 / 0.342 * anxiolytic drug

Paliperidone (R/S) 0.556 / 0.422 ** GR atypical antipsychotic

Palonosetron 0.702 *** GR treatment of chemotherapy-induced nausea and vomiting

Pamaquine (R/S) 0.262 / 0.525 ** GR treatment of malaria

Panadiplon 0.273 – anxiolytic drug

Paracetamol 0.285 – analgesic drug, antipyretic: non carcinogenic

Parahydroxyamphetamine (R/S) 0.397 / 0.415 * nervous stimulant (alkaloid; occurs also in plants)

Paramethadione (R/S) 0.052 / 0.055 – anticonvulsant

Paramethasone 0.434 * anti-inflammatory drug

Pargyline 0.197 – antihypertensive drug

Pefloxacin 0.574 ** GR treatment of life-threatening bacterial infections

Pemirolast 0.174 – anti-allergic drug

Pempidine 0.316 – ganglionic blocker

Penbutolol (R/S) 0.603 / 0.545 ** GR treatment of high blood pressure

Penciclovir 0.377 * treatment of herpes virus infections

Penicillamine 0.389 * pharmaceutical chelator

Pentamidine 0.213 – antimicrobal medication

Pentifylline 0.086 – vasodilator

Pentoxifylline 0.200 – treatment of intermittent claudication and vascular dementia

Pentoxyverine 0.347 * cough suppressant

Pergolide 0.451 * treatment of Parkinsons's disease

Perhexiline (R/S) 0.515 / 0.622 ** GR antianginal agent: frequent adverse effects

Periciazine 0.524 ** ERβ antipsychotic drug

Perospirone 0.532 ** GR antipsychotic drug

Perphenazine 0.415 * antipsychotic drug

Pethidine 0.425 * analgesic drug

Phanquinone 0.317 * antiprotozoal agent

Phenacemide 0.373 * anticonvulsant

Phenacetin 0.252 – analgesic

Phenadoxone (R/S) 0.378 / 0.418 * opioid analgesic

Phenampromide (R/S) 0.510 / 0.326 ** GR opioid analgesic

Phenazone 0.244 – analgesic: hepatotoxic

Phenazopyridine 0.313 * local analgesic (urinary tract infections)

Phencyclidine 0.463 ** GR anesthetic agent: hallucinogenic/neurotoxic

Phenelzine 0.312 * antidepressant drug

Pheneridine 0.365 * opioid analgesic

Pheneturide (R/S) 0.292 / 0.493 * anticonvulsant

Phenibut (R/S) 0.422 / 0.181 * improvement of neurological functions: low toxicity

Phenindamine (R/S) 0.529 / 0.384 ** GR antihistamine

Phenindione 0.419 * anticoagulant

Pheniprazine (R/S) 0.437 / 0.462 * antidepressant

Pheniramine (R/S) 0.490 / 0.412 * antihistamine

Phenobarbital 0.325 * anticonvulsant

Phenoxybenzamine (R/S) 0.357 / 0.358 * anti-hypertensive

Phenpentermine (R/S) 0.484 / 0.453 * anorectic drug; acts also as diuretic

Phenprobamate 0.082 – skeletal muscle relaxant

Phenprocoumon (R/S) 0.367 / 0.368 * anticoagulant drug

Phenpromethamine (R/S) 0.422 / 0.329 * stimulant drug (banned by the World Antidoping Agency)

Phensuximide (R/S) 0.201 / 0.147 – anticonvulsant

Phentolamine 0.502 ** ERβ vasodilator

Phenylbutazone 0.272 – antiepileptic: teratogen; possibly carcinogenic

Phenylephrine 0.372 * decongestant

Phenylpiracetam (R/S) 0.078 / 0.106 – nootropic: low toxicity

Phenyltoloxamine 0.344 * antihistamine with sedative and analgesic effects

Phenytoin 0.300 * antiepileptic: teratogen; possibly carcinogenic

Phetharbital 0.329 * anticonvulsant, sedative

Pholcodine 0.599 ** GR opioid cough suppressant

Piberaline 0.203 – stimulant and antidepressant

Picamilon 0.211 – nicotinyl-GABA: low toxicity

Picenadol (R/S) 0.516 / 0.409 ** GR opioid analgesic

Pidotimod 0.248 – immunostimulant

Pilocarpine 0.209 – treatment of glaucoma, xerostomia

Pimethixene 0.560 ** GR treatment of hyperactivity, anxiety, sleep disorders

Pimobendan (R/S) 0.373 / 0.511 ** GR inotropic, vasodilator

Pimozide 0.679 ** GR antipsychotic drug

Pinacidil (R/S) 0.445 / 0.414 * vasodilator

Pinazepam 0.362 * anxiolytic, anticonvulsant, sedative, muscle relaxant

Pindolol (R/S) 0.322 / 0.274 * treatment of angina pectoris and hypertension

Pipazetate 0.533 ** hERG cough suppressant

Pipequaline 0.536 ** hERG anxiolytic drug

Piperidolate (R/S) 0.466 / 0.555 ** GR antimuscarinic drug

Piperocaine (R/S) 0.312 / 0.475 * local anesthetic

Pipradrol 0.594 ** GR CNS stimulant

Piracetam 0.000 – nootropic, dietary supplement: only mild side-effects

Pirbuterol (R/S) 0.525 / 0.509 ** GR treatment of asthma

Pirenzepine 0.536 ** GR treatment of peptic ulcers

Piretanide 0.245 – diuretic

Piribedil 0.239 – treatment of Parkinson's disease

Pirlindole (R/S) 0.623 / 0.463 ** GR antidepressant

Pirisudanol 0.342 * psychostimulant

Piroheptine (R/S) 0.556 / 0.596 ** GR treatment of Parkinson's disease

Piroxicam 0.222 – NSAID

Pirprofen (R/S) 0.194 / 0.259 – NSAID

Pizotifen 0.541 ** GR treatment of migraine headaches

Pleconaril 0.287 – antiviral drug (asthma)

Polythiazide (R/S) 0.311 / 0.456 * diuretic

Practolol (R/S) 0.412 / 0.245 * treatment of cardiac arrhythmias

Pramipexole 0.341 * treatment of Parkinson's disease

Pramiracetam 0.322 * nootropic: safe compound

Pranoprofen (R/S) 0.307 / 0.339 * NSAID

Pravadoline 0.453 * NSAID

Prazepam 0.211 – anxiolytic, anticonvulsant, sedative

Praziquantel 0.238 – anthelmintic effective against flatworms

Prazosin 0.366 * antihypertensive: some side effects

Prednicarbate 0.743 *** GR topical corticosteroid

Prednisolone 0.619 ** ERβ active metabolite of Prednisone (treatment of inflammation and AID)

Prednisone 0.496 * synthetic corticosteroid drug

Pridinol 0.484 * muscle relaxant

Prilocaine (R/S) 0.516 / 0.355 ** GR local anesthetic

Procarbazine 0.106 – antienoplastic agent

Prodine (α_ax/α_eq/β_ax/β_eq) 0.508 / 0.648 / 0.579 / 0.340 ** GR opioid analgesic

Profenamine (R/S) 0.382 / 0.201 * treatment of Parkinson's disease

Proguanil 0.411 * prophylactic antimalarial drug

Promethazine (R/S) 0.444 / 0.386 * antihistamine, antiemetic, sedative

Propafenone (R/S) 0.542 / 0.556 ** GR anti-arrhythmic medication

Propofol 0.200 – anesthesia agent

Propranolol (R/S) 0.482 / 0.502 ** GR treatment of hypertension

Propylthiouracil 0.022 – treatment of hyperthyroidism

Prostanozol 0.595 ** AR anabolic steroid

Pseudoephedrine 0.201 – decongestant

Pyrantel 0.219 – antinematodal agent

Pyrithyldione 0.022 – hypnotic, sedative

Pyritinol 0.008 – treatment of chronically impaired brain function

Pyrovalerone (R/S) 0.413 / 0.461 * stimulant drug (fatigue, lethargy); appetite suppressant

Quazepam 0.215 * treatment of insomnia

Quinbolone 0.643 ** AR anabolic steroid

Quinethazone (R/S) 0.356 / 0.287 * treatment of hypertension

Quinestrol 0.685 ** ERα treatment of breast and prostate cancer

Quinidine 0.498 * antiarrhythmic agent

Quinisocaine 0.605 ** GR antipruritic agent

Quinpirole 0.344 * dopamine D₂/D₃ receptor agonist

Quipazine 0.589 ** GR serotonin receptor agonist (5HT_2A,, 5HT₃)

Rabeprazole 0.277 – proton pump inhibitor

Racecadotril (R/S) 0.278 / 0.505 ** ERβ antidiarrheal drug

Raclopride 0.159 – neuroleptic (treatment of schizophrenia)

Rafoxanide 0.350 * antiparasitic agent

Ramatroban 0.293 – treatment of coronary artery disease

Ramipril 0.296 – treatment of hypertension

Ramosetron 0.478 * treatment of nausea an vomiting

Ranitidine 0.495 * treatment of peptic ulcer disease

Ranolazine (R/S) 0.435 / 0.240 * antianginal medication

Rasagiline 0.181 – irreversible MAO inhibitor: safe; possible drug interactions

Razobazam 0.163 – produces nootropic effects

Rebamipide (R/S) 0.536 / 0.307 ** GR treatment of Behçet's disease

Reclazepam 0.392 * sedative, anxiolytic

Remacemide (R/S) 0.570 / 0.425 ** hERG sodium channel blocker

Remoxipride 0.592 ** GR antipsychotic drug

Rentiapril 0.203 – ACE inhibitor

Renzapride 0.660 ** hERG treatment of irritable bowel syndrome

Repirinast 0.440 * antihistamine

Ribavirin 0.055 – antiviral drug

Rilmazafone 0.554 ** GR sedative, hypnotic

Rilmenidine 0.331 * treatment of hypertension

Riluzole 0.383 * treatment of amyotrophic lateral sclerosis

Rimantadine (R/S) 0.554 / 0.598 ** GR antiviral drug

Rimcazole 0.541 ** GR anticonvulsant

Rimexolone 0.575 ** GR treatment of inflammation in the eye

Rimiterol 0.404 * third-generation β₂ agonist

Rimonabant 0.513 ** GR anti-obesity drug (temporarily withdrawn from market)

Ripazepam 0.215 – anxiolytic

Risocaine 0.190 – local anesthetic

Ritanserin 0.436 * treatment of schizophrenia

Ritodrine 0.403 * tocolytic drug

Rivastigmine 0.256 – treatment of dementia (Alzheimer and due to Parkinson's disease)

Rizatriptan 0.428 * treatment of migraine headaches

Robalzotan 0.281 – potential antidepressant

Robenidine 0.175 – coccidiostat

Rociverine (R/S) 0.565 / 0.352 ** GR antimuscarinic

Roflumilast 0.254 – treatment of inflammatory diseases of the lungs

Rolicyclidine 0.466 * anesthetic, hallucinogenic, sedative

Rolipram (R/S) 0.350 / 0.379 * NSAID

Rolziracetam 0.104 – nootropic drug

Romifidine 0.367 * sedative, anesthetic, analgesic (veterinary medicine)

Ronifibrate 0.305 * fibrate

Ropinirole 0.219 – treatment of Parkinson's disease

Ropivacaine 0.436 * local anesthetic

Roquinimex 0.226 – immunostimulant

Rosiglitazone 0.143 – anti-diabetic drug

Rosoxacin 0.332 * treatment of urinary tract infections

Rubitecan 0.341 * oral topoisomerase inhibitor (withdrawn)

Rufinamide 0.138 – anticonvulsant medication

Rupatadine 0.715 *** GR antihistamine

Salbutamol (R/S) 0.389 / 0.175 * treatment of asthma and COPD

Salicylamide 0.200 – analgesic and antipyretic properties

Salsalate 0.256 – NSAID

Saripidem 0.268 – sedative, anxiolytic

Sarmazenil 0.309 * anxiogenic, convulsant (veterinary medicine)

Sarpogrelate (R/S) 0.504 / 0.580 ** GR treatment of many diseases (e.g. diabetes mellitus)

Secnidazole (R/S) 0.110 / 0.067 – anti-infective drug

Selegiline 0.173 – treatment of Parkinson's disease, depression and senile dementia

Selfotel 0.290 – anticonvulsant, anxiolytic, analgesic

Sematilide 0.450 * antiarrhythmic agent

Seratrodast (R/S) 0.238 / 0.307 * treatment of asthma

Sertaconazole (R/S) 0.284 / 0.616 ** AhR antifungal medication

Sertindole 0.472 * treatment of schizophrenia

Setastine (R/S) 0.607 / 0.524 ** GR antihistamine

Setiptiline 0.550 ** GR antidepressant

Sibutramine (R/S) 0.354 / 0.286 * appetite suppressant

Simfibrate 0.244 – fibrate

Sivelestat 0.111 – treatment of acute respiratory failure

Sofalcone 0.299 – oral gastrointestinal medication

Solabegron 0.330 * treatment of overactive bladder and irritable bowel syndrome

Sorivudine 0.455 * antiviral drug

Sotalol (R/S) 0.479 / 0.489 * treatment of cardiac arrhythmias

Spiperone 0.629 ** GR antipsychotic drug

Spiradoline 0.715 *** GR analgesic, diuretic, antitussive

Spironolactone 0.539 ** MR diuretic, antiandrogen

Stavudine 0.333 * reverse transcriptase inhibitor

Stepronin (R/S) 0.243 / 0.192 – mucolytic

Stiripentol (R/S) 0.230 / 0.330 * treatment of epilepsy

Sulconazole (R/S) 0.331 / 0.207 * antifungal medication

Styramate (R/S) 0.165 / 0.087 – muscle relaxant, anticonvulsant

Sufentanil 0.330 * opioid analgesic drug

Sulazepam 0.1259 – sedative, muscle relaxant, hypnotic, anticonvulsant, anxiolytic

Sulbentine 0.201 – antifungal agent

Sulfadiazine 0.336 * sulfonamide antibiotic

Sulfadimethoxine 0.464 * sulfonamide antibiotic

Sulfadimidine 0.348 * sulfonamide antibiotic

Sulfadoxine 0.308 * ultra-long lasting sulfonamide (malaria)

Sulfafurazole 0.316 * sulfonamide antibiotic

Sulfalene 0.456 * sulfonamide antibiotic

Sulfamerazine 0.472 – sulfonamide antibiotic

Sulfamethizole 0.203 – sulfonamide antibiotic

Sulfamethoxypyridazine 0.341 * sulfonamide antibiotic

Sulfametomidine 0.488 * sulfonamide antibiotic

Sulfametoxydiazine 0.384 * sulfonamide antibiotic (leprae, urinary tract infections)

Sulfametrole 0.316 * sulfonamide antibiotic

Sulfamoxole 0.262 – sulfonamide antibiotic

Sulfaperin 0.501 ** 2C9 sulfonamide antibiotic

Sulfaphenazole 0.388 * sulfonamide antibiotic

Sulfapyridine 0.226 – antibacterial drug

Sulfasalazine 0.295 – treatment of inflammatory bowel disease

Sulfathiazole 0.236 – short-acting sulfa drug

Sulfinpyrazone 0.414 * treatment of gout

Sulfisomidine 0.230 – sulfonamide antibiotic

Sulforidazine (R/S) 0.617 / 0.668 ** GR antipsychotic drug

Sulindac 0.433 * NSAID for acute or chronic inflammations

Sulpiride (R/S) 0.343 / 0.333 * treatment of schizophrenia and depression

Sultiame 0.274 – anticonvulsant

Sumatriptan 0.562 ** GR treatment of migraine headaches

Suproclone (R/S) 0.424 / 0.381 * sedative, anxiolytic

Suprofen (R/S) 0.338 / 0.204 * NSAID

Suriclone (R/S) 0.376 / 0.387 * sedative, anxiolytic

Suritozole 0.113 – cognition enhancer (investigational)

Suxibuzone 0.328 * treatment of joint and muscular paint

Tacalcitol 0.242 – treatment of psoriasis

Tacrine 0.521 ** GR treatment of Alzheimer's disease

Talastine 0.496 * antihistamine

Talbutal (R/S) 0.328 / 0.198 * short to intermediate-acting barbiturate

Talipexole 0.181 – treatment of Parkinsons's disease

Talopram (R/S) 0.488 / 0.533 ** GR antidepressant

Tamoxifen 0.590 ** ERα selective estrogen receptor modulator: carcinogenic, thromboembolism

Tasosartan 0.152 – angiotensin II receptor antagonist

Tazarotene 0.302 * treatment of psoriasis, acne and sun-damaged skin

Teclozan 0.198 – antiprotozoal agent

Tedisamil 0.454 * antiarrhythmic for atrial fibration and flutter

Tegafur (R/S) 0.203 / 0.263 – treatment of cancer (prodrug)

Temozolomide 0.174 – treatment of astrocytoma (brain tumor)

Tenidap 0.477 * NSAID

Tenonitrozole 0.204 – antiprotozoal agent

Tenoxicam 0.388 * NSAID

Tepoxalin 0.294 – NSAID

Terazosin (R/S) 0.408 / 0.319 * treatment of hypertension along with BPH

Terbinafine 0.473 * antifungal drug

Terbutaline (R/S) 0.396 / 0.291 * bronchodilator

Terizidone (RR/RS/SS) 0.181 / 0.154 / 0.216 – treatment of tuberculosis

Terodiline (R/S) 0.452 / 0.417 * antispasmodic drug used in urology

Tertatolol (R/S) 0.588 / 0.403 ** GR treatment of hypertension

Tetrabenazine 0.381 * treatment of hyperkinetic movement disorder

Tetracaine 0.508 ** GR local anesthetic

Tetrahydrozoline (R/S) 0.257 / 0.446 * vasoconstrictor (eye drops, nasal sprays): toxic at over dosage

Tetrazepam 0.290 – anxiolytic, muscle relaxant

Thenalidine 0.511 ** GR antipuritic drug

Thenyldiamine 0.335 * antihistamine

Theodrenaline (R/S) 0.417 / 0.359 * cardiac stimulant

Theophylline 0.238 – treatment of COPD, Asthma: toxic by interaction with other drugs

Thialbarbital 0.176 – sedative drug

Thiamphenicol 0.287 – veterinary antibiotic

Thiethylperazine 0.462 * treatment of nausea and vomiting

Thioacetazone 0.382 * treatment of tuberculosis

Thiocarlide 0.471 * treatment of tuberculosis

Thioguanine 0.185 – treatment of cancer (antimetabolite)

Thioridazine (R/S) 0.529 / 0.521 ** GR treatment of schizophrenia and psychosis

Thonzylamine 0.560 ** GR antihistamine, antipuritic

Tiagabine 0.367 * anticonvulsive medication

Tianeptine (R/S) 0.231 / 0.299 – antidepressant, anxiolytic

Tiapride 0.308 * neuroleptic agent

Tiaprofenic acid (R/S) 0.365 / 0.336 * NSAID

Tibolone 0.555 ** ERβ hormone-replacement therapeutic

Ticlatone 0.296 – antifungal agent

Ticlopidine 0.337 * antiplatelet drug

Tidiacic (RR/RS/SR/SS) 0.200 / 0.003 / 0.151 / 0.219 – hepatoprotective drug

Tiflorex (R/S) 0.481 / 0.420 * appetite suppressant

Tifluadom (R/S) 0.481 / 0.445 * analgesic, diuretic, sedative, appetite stimulant

Tilbroquinol 0.297 – antiprotozoal agent

Tiletamine (R/S) 0.207 / 0.179 – dissociative anesthetic (veterinary medicine)

Tilisolol (R/S) 0.468 / 0.558 ** hERG treatment of hypertension and angina pectoris

Tilorone 0.528 ** GR orally active interferon inducer

Timiperone 0.637 ** GR neuroleptic drug

Timolol 0.408 * treatment of high blood pressure

Tioconazole (R/S) 0.172 / 0.427 * antifungal medication

Tipepidine 0.300 * cough suppressant

Tiratricol 0.606 ** TRβ thyroid hormone analogue

Tirofiban 0.376 * antiplatelet drug

Tiropramide (R/S) 0.575 / 0.579 ** GR antispasmodic

Tisopurine 0.108 – treatment of gout

Tixocortol 0.482 * intestinal anti-inflammatory and decongestant

Tizanidine 0.321 * muscle relaxant

Tocainide (R/S) 0.561 / 0.330 ** hERG antiarrhythmic agent

Tofisopam (R/S) 0.416 / 0.508 ** GR anxiolytic drug: not approved in US/Canada

Tolazamide 0.334 * oral blood-glucose lowering drug (type-2 diabetes)

Tolazoline 0.357 * vasodilator; treatment of acrocyanosis

Tolbutamide 0.260 – management of type-2 diabetes

Tolcapone 0.259 – treatment of Parkinson's disease; hepatotoxic

Tolciclate 0.375 * antifungal medication

Tolfenamic acid 0.301 * NSAID

Tolmetin 0.312 * treatment of arthritis: several side effects; toxic to rats

Tolnaftate 0.382 * over-the-counter antifungal agent

Toloxatone (R/S) 0.354 / 0.409 * antidepressant

Tolperisone (R/S) 0.556 / 0.415 ** GR muscle relaxant

Tolpropamine (R/S) 0.402 / 0.479 * antihistamine used as an antipruritic

Toltrazuril 0.402 * coccidiostat

Topotecan 0.400 * chemotherapy agent: some side effects

Torasemide 0.406 * loop diuretic

Toremifene 0.634 ** ERβ selective estrogen receptor modulator

Tracazolate 0.253 – anxiolytic drug

Tramadol 0.498 * analgesic

Tramazoline 0.434 * nasal preparation

Tranexamic acid 0.262 – antifibrinolytic agent

Tranilast 0.257 – antiallergic drug

Tranylcypromine 0.396 * antidepressant

Trapidil 0.137 – vasodilator

Trefentanil 0.420 * opioid analgesic

Trepibutone 0.097 – treatment of gastrointestinal disorders

Trestolone 0.623 ** AR hormonal male contraceptive

Triamcinolone 0.494 * treatment of rhinoplasy and severe hay fewer

Triamterene 0.256 – potassium-sparing diuretic

Triapine 0.185 – under investigation for cancer treatment

Trichlormethiazide (R/S) 0.261 / 0.364 * treatment of edema

Triethylenemelamine 0.082 – drug used in chemotherapy

Triflubazam 0.342 * sedative, anxiolytic

Trifluoperazine 0.488 * treatment of schizophrenia

Trifluperidol 0.480 * antipsychotic drug (mania, schizophrenia)

Triflupromazine 0.451 * antipsychotic drug

Trifluridine 0.367 * antiviral drug (herpes)

Triflusal 0.178 – platelet-aggregation inhibitor

Trihexyphenidyl (R/S) 0.572 / 0.568 ** GR antiparkinsonian drug

Trilostane 0.372 * treatment of Cushing's syndrome

Trimazosin 0.382 * sympatholytic drug

Trimebutine (R/S) 0.584 / 0.566 ** GR antimuscarinic

Trimecaine 0.338 * local anesthetic

Trimetazidine 0.311 * treatment of angina pectoris

Trimethadione 0.083 – anticonvulsant

Trimethobenzamide 0.216 – antiemetic (prevention of nausea and vomiting)

Trimetozine 0.323 * anxiolytic drug

Trimetrexate 0.407 * treatment of pneumocystis pneumonia

Tripelennamine 0.403 * antipruritic and antihistamine

Triprolidine 0.444 * over-the-counter antihistamine

Tritoqualine (RR/RS/SR/SS) 0.413 / 0.365 / 0.359 / 0.408 * antihistamine

Tropatepine 0.641 ** GR anti-parkinson drug

Tropicamide (R/S) 0.137 / 0.181 – parasympatholytic (used for eye examinations)

Troxipide (R/S) 0.538 / 0.332 ** GR treatment of gastroesophageal reflux disease

Tulobuterol (R/S) 0.321 / 0.469 * β₂-adrenergic receptor agonist

Ufenamate 0.405 * topical analgesic

Uldazepam 0.412 * sedative, anxiolytic

Ulobetasol 0.513 ** GR corticosteroid

Uramustine 0.413 * chemotherapeutic drug

Urapidil 0.455 * sympatholytic drug

Valdecoxib 0.437 * treatment of osteoarthritis and rheumatoid arthritis

Valnoctamide (RR/RS/SR/SS) 0.087 / 0.031 / 0.041 / 0.055 – sedative, hypnotic

Valofane (RR/RS/SR/SS) 0.522 / 0.332 / 0.415 / 0.360 ** hERG

Valproic acid 0.156 – anticonvulsant

Valpromide 0.052 – treatment of epilepsy

Valsartan 0.000 – treatment of hypertension

Vanoxerine 0.589 ** GR treatment of cocaine dependence

Varenicline 0.463 * treatment of smoking addiction

Vedaclidine (R/S) 0.449 / 0.293 * analgesic drug

Vernakalant 0.640 ** GR investigational drug (atrial fibrillation)

Vesnarinone 0.372 * cardiotonic agent

Vigabatrin (R/S) 0.264 / 0.066 – anticonvulsant

Viloxazine (R/S) 0.364 / 0.336 * antidepressant

Viminol (six isomers) 0.292–0.589 ** GR opioid analgesic

Vinburnine 0.354 * vasodilator

Vinconate 0.366 * nootropic

Vinpocetine 0.351 * nootropic, neuroprotective: no adverse reactions reported

Voglibose 0.375 * treatment of diabetes mellitus

Voriconazole 0.068 – antifungal medication

Vorinostat 0.536 ** ERβ treatment of cutaneous T cell lymphoma

Vorozole (R/S) 0.164 / 0.317 * antienoplastic agent

Xaliproden 0.483 * treatment of Alzheimer's disease

Xamoterol (R/S) 0.364 / 0.359 * cardiac stimulant

Xanomeline 0.232 – nasal decongestant

Xipamide 0.274 – diuretic drug

Xorphanol 0.484 * opioid analgesic

Xylazine 0.220 – sedative, anesthetic, muscle relaxant, analgesic (veterinary medicine)

Xylometazoline 0.419 * treatment of Alzheimer's disease and schizophrenia

Zacopride (R/S) 0.600 / 0.409 ** GR anxiolytic, nootropic, antiemetic

Zalcitabine 0.239 – reverse transcriptase inhibitor

Zaleplon 0.296 – sedative, hypnotic

Zalospirone 0.529 ** GR antidepressant

Zanamivir 0.376 * neuroamidase inhibitor

Zapizolam 0.147 – sedative, anxiolytic

Zatosetron 0.537 ** GR antinauseant, anxiolytic

Zidovudine 0.015 – treatment of HIV

Zileuton (R/S) 0.420 / 0.607 ** hERG treatment of asthma

Zinterol (R/S) 0.629 / 0.434 ** GR β-adrenergic agonist

Ziprasidone 0.451 * atypical antipsychotic drug

Zofenopril 0.135 – treatment of hypertension

Zolazepam 0.186 – veterinary anesthetic

Zolmitriptan 0.450 * treatment of migraine

Zolpidem 0.147 – treatment of insomnia; anticonvulsant, muscle relaxant

Zomepirac 0.257 – antipyretic (withdrawn from market)

Zonisamide 0.336 * anticonvulsant

Zopiclone (R/S) 0.326 / 0.219 * treatment of insomnia

Zotepine 0.415 * treatment of schizophrenia

Zuclopenthixol 0.402 * antipsychotic neuroleptic drug

Zylofuramine 0.572 ** GR appetite suppressant (never marketed)

9. Vitamins

Compound Weighted toxic potential wTP class Main target Comments

Vitamin A 0.422 * retinoid: acute and liver toxicity at high doses

Vitamin B₂ 0.261 – riboflavin: not orally toxic

Vitamin B₃ 0.254 – nicotinic acid: low toxicity at pharmacological doses

Vitamin B₅ 0.033 – pantothenic acid: unlikely toxic

Vitamin B₆ 0.205 – cofactor: safe at dosages less than 200 mg/day

Vitamin B₉ 0.154 – folic acid: not toxic

Vitamin C 0.284 – L-ascorbate: not toxic

Vitamin D₂ 0.565 ** GR ergocalciferol: conflicting toxicity data

Vitamin D₃ 0.505 ** GR cholecalciferol: toxic at high over dosage

Vitamin E 0.313 * fat-soluble antioxidant: toxic effects only at high dosage

Vitamin H (B₇) 0.254 – biotin: no adverse effects reported

Vitamin L 0.163 – anthranilic acid

10. Natural Compounds

Compound Weighted toxic potential wTP class Main target Comments

Abietic acid 0.405 * resin acid

Abscisic acid 0.261 – plant hormone

Acanthoic acid 0.387 * natural COX-2 inhibitor (Rollina pitteri)

Adenine 0.010 – purine base

Adrenaline 0.280 – neurotransmitter

Aflatoxin (B1/M1) 0.521 / 0.357 ** ERβ mycotoxin: extremely carcinogenic

Aloin (A/B) 0.298 / 0.126 – naturally occurring bittering agent

Alternariol 0.277 – toxic metabolite of Alternaria fungi

Anatoxin-a 0.353 * cyanotoxin: acute neurotoxicity

Androsterone 0.503 ** ERβ steroid hormone

Anethole 0.408 * aromatic compound (anise, fennel)

Angelicin 0.288 – furocoumarin produced by a variety of plants

Anisaldehyde 0.223 – found in anise

Anisomycin 0.419 * antibioitic produced by Streptomyces griseolus

Anthraquinone 0.394 * anthracene derivative (aloe, henna, rhubarb)

Apigenin 0.589 ** ERα flavone (parsley, celery)

Apiol 0.410 * compound found in celery and parsley

Arecoline 0.162 – alkaloid found in the areca nut (Areca catechu)

Artemisinin 0.414 * sesquiterpene lactone (Artemisia annua)

Asarone 0.350 * ether found in acorus and asarum

Asparagusic acid 0.067 – metabolic precursor of odorous thiols (asparagus)

Auxin 0.279 – phytohormone

Azealic acid 0.123 – saturated dicarboxylic acid (wheat, rye, barley)

Betulin 0.547 ** GR naturally occurring triterpene (bark of birch tree)

Betulinic acid 0.461 * naturally occurring triterpene (bark of birch tree)

Biopterin (1R,2S) 0.200 – coenzyme

Boswellic acid (α/β) 0.528 / 0.648 ** AhR/GR pentacyclic triterpene found in Boswellia serrata

Brassinolide 0.315 * plant steroid

Brazilin 0.432 * red pigment (brazilwood family)

Bulbocapnine 0.315 * alkaloid found in Corydalis and Dicentra

Cadinene (α/β/γ) 0.397 / 0.364 / 0.325 * bicyclic sesquiterpene from essential oil-producing plants

Cafestol 0.535 ** ERβ diterpene present in coffee

Caffeic acid 0.267 – naturally occurring carcinogenic inhibitor

Caffeine 0.138 – stimulant: side effects at high dosage

Camphor 0.143 – terpenoid found in wood of the camphor laurel

Camphoric acid (R,S) 0.197 – oxidized form of camphor

Camptothecin 0.340 * quinoline alkaloid found in Camptotheca acuminata

Cannabicyclol 0.515 ** GR non-psychoactive cannabinoid found in Cannabis sativa

Cannabidiol 0.223 – psychoactive cannabinoid found in Cannabis sativa

Cannabidivarin 0.135 – non-psychoactive cannabinoid found in Cannabis sativa

Cannabinol 0.566 ** GR non-psychoactive cannabinoid found in Cannabis sativa

Cannabivarin 0.562 ** GR non-psychoactive cannabinoid found in Cannabis sativa

Cantharidin 0.263 – poisonous blister beetle secret

Capsaicin 0.223 – active compound of chili pepper

Carene 0.113 – monoterpene constituent of turpentine

Carminic acid 0.153 – hydroxianthrapurin (occurs in some scale insects)

Carvacrol 0.259 – monoterpenoid phenol (oregano)

Carvone (R/S) 0.202 / 0.183 – terpenoid found in many essential oils

Catechol 0.399 * catechin distillate

Cathine 0.474 * monoamine alkaloid (Catha edulis)

Cathinone 0.380 * monoamine alkaloid (Catha edulis)

Chenodeoxycholic acid 0.326 * bile acid

4-Chloroindole-3-acetic acid 0.128 – plant hormone

Cholesterol 0.490 * required to build and maintain cell membranes

Chorismic acid 0.379 * biochemical intermediate in plants and microorganisms

Chrysin 0.461 * natural flavone (passion flower)

Cinchonine 0.482 * alkaloid

Cinnamaldehyde 0.155 – cinnamon flavor: low toxicity

Cinnamic acid 0.318 * obtained from oil of cinnamon

Cinnamyl alcohol 0.207 – present in cinnamon leaves

Citral (A/B) 0.095 / 0.047 – present in lemon myrtle and several other plants

Citric acid 0.126 – citrus and other fruits, vegetables

Citrulline (R/S) 0.452 / 0.331 * rind of watermelon

Citrinin 0.420 * mycotoxin

Codeine 0.388 * opium alkaloid

Colchicine 0.476 * highly poisonous natural product

Combretastatin A-4 0.719 *** ERβ natural stilbenoid phenol (Combretum caffrum)

Conessine 0.500 ** hERG steroid alkaloid (Apocynaceae family)

Coniine 0.332 * alkaloid found in poison hemlock

p-Coumaric acid 0.335 – cinnamic-acid derivative (peanut, carrot, garlic)

Coumarin 0.225 – plant toxin

Cubebol 0.356 * sesquiterpene alcohol found in cubeb oil

Cuminaldehyde 0.173 – found in eucalyptus, nyrrh, cassia, cumin

Curcumin 0.581 ** ERβ principal curcuminoid in turmeric (ginger family)

Cuscohygrine 0.486 * pyrrolidine alkaloid found in coca

Cyclopamine 0.500 ** hERG alkaloid: teratogen

Cyclopiazonic acid 0.436 * fungal secondary metabolite

Cytisine 0.273 – alkaloid found in several Faboideae species

Cytokinin 0.282 – plant hormone

Desoxycorticosterone 0.660 ** ERα mineralocorticoid excreted from the adrenal gland

Digalloylgallic acid 0.238 – polyphenolic carbonic acid

Digoxigenin 0.436 * steroid found in Digitalis purpurea

Dihydroactinidiolide 0.204 – volatile terpene (black tea, mango, tobacco)

1,8-Dihydroxyanthrachinone 0.302 * anthraglycoside (emodine)

1,8-Dihydroxyanthrone 0.278 – anthraglycoside (emodine)

Dillapiole 0.365 * essential oil found in dill weed

Dimethyltryptamine 0.355 * naturally occurring tryptamine; potent psychedelic drug

Diosgenin 0.799 *** ERα steroid sapogenin (Dioscorea wild yam)

Domoic acid 0.202 – neurotoxin (red algeae)

Ectocarpene 0.144 – pheromone (brown algeae)

Ectoine 0.235 – protective substance in bacterial cells
Elemicin 0.313 * essential oil of nutmeg
Ellagic acid 0.688 ** ERβ polyphenol antioxidant (fruits, vegetables)

Epibatidine 0.448 * poisonous frog alkaloid

Epicatechine 0.723 *** ERβ flavonoid (tea)

Epigallocatechine 0.533 ** ERβ flavonoid (tea)

Epinephrine 0.321 * neurotransmitter

Epitestosterone 0.510 ** ERβ natural steroid

Equilenin 0.738 *** ERβ horse steroid

Equilin 0.707 *** ERβ horse steroid

Equol 0.736 *** ERα isoflavandiol

Erdacin 0.214 – highly active antioxidant

Ergine 0.457 * alkaloid of the ergoline family

Ergotamine 0.643 ** GR alkaloid of the ergot family

Estragole 0.294 – found in tarragon, basil, pine oil, fennel, anise

Estriol 0.801 **** ERβ female sex hormone

Estrone 0.764 *** ERβ estrogenic hormone secreted by the ovary

Etorphine 0.634 ** GR semi-synthetic opioid (poppy straw; Papaver orientale, bracteatum)

Eucalyptol 0.187 – monoterpenoid found in Eucalyptus oil

Evodiamine 0.272 – chemical extracted from the Evoida plant family

Fenchone 0.100 – organic compound present in the oils of fennel

Ferruginol 0.531 ** ERβ diterpene (Sequoica semperivirens)

Ferujol 0.259 – coumarin (Ferula jaschkeana

Ferulic acid 0.294 – phenolic phytochemical

Flavin 0.321 * riboflavin derivative

Forskolin 0.477 * labdana diterpene (Coleus forsohili)

Gallic acid 0.215 – organic acid (gallnuts, witch hazel, tea leaves)

Genipin 0.324 * active compound in gardenia fruit (→ TCM)

Geosmin 0.180 – organic compound (earthy taste) found in beets

Geranic acid 0.058 – pheromone

Gestonorone 0.529 ** ERα progestagen hormone

Gingerol 0.484 * active constituent of fresh ginger

Gliotoxin 0.368 * antibiotic produced by several species of fungi

Glucuronolactone 0.204 – glucose metabolite in the liver: low acute toxicity

Glutamic acid (L/D) 0.358 / 0.206 * swift excitatory neurotransmitter

Glycyrrhetinic acid 0.339 * triterpenoid (Licorice plant)

Glycyrrhizol A 0.493 * flavonoid (roots of the Chinese Licorice plant)

Guaiacol 0.191 – aromatic oil from guaiacum or wood cresote

Guaiazulene 0.338 * sesquiterpene (oil from guaiac and camomile)

Guanacastepene A 0.588 ** ERβ diterpene (extracted from a Costa Rica fungus)

Gyromitrin 0.033 – chemical present in Gyromithra mushrooms: possibly cancerogenic

Haematoxylin 0.370 * black pigment (logwood tree)

Harmaline 0.450 * psychoactive indole alkaloid

Harmane 0.419 * indole alkaloid

Harmine 0.695 ** GR indole alkaloid: cytotoxic

Hasubanan 0.435 * alkaloid (Stephania longa)

Hasubanonine 0.269 – alkaloid of the hasubanan family

Hesperetin 0.397 * bioflavonoid found in Citrus fruits

Hippuric acid 0.153 – carboxylic acid found in the urine of horses

Hippuristanol 0.632 ** ERα molecule found in the coral Isis hippunis

Histamine 0.313 * neurotransmitter

L-Histidine 0.318 * amino acid (essential for children)

Homogentisic acid 0.072 – metabolic breakdown product of Phe and Tyr

Honokiol 0.457 * biphenolic compound found in Magnolia grandifloris

Hordenine 0.411 * alkaloid of the Cactacaea family

Hydrastatine (R/S) 0.340 / 0.299 * alkaloid found in Hydrastis canadensis

Hygrine 0.290 – pyrrolidine alkaloid (coca leaves)

Hyperforin 0.356 * active constituent of Saint John's wort

Hypericin 0.479 * active constituent of Saint John's wort

Hypoglycin 0.133 – organic compound found un Blighia sapida

Ibogaine 0.362 * psychoactive compound found in Tabermanthe iboga

Ibotenic acid 0.328 * neurotoxin (mushrooms)

Indole 0.156 – degradation product of tryptophan

Indole-3 acetic acid 0.198 – phytohormone (auxin)

Inosinic acid 0.288 – nucleotide present in muscle and other tissues

myo-Inositol 0.524 ** ERβ structural basis for secondary messengers

Ionone (α/β/γ) 0.222 / 0.187 / 0.181 – aroma compounds found in a variety of essential oils

Isatin 0.170 – indole derivative found in many plants

Jasmone 0.176 – natural organic compound (jasmine flower)

Kainic acid 0.157 – marine acid present in some seaweed

Khellin 0.275 – vasodilator found in Ammi visnaga used by Egyptian folk medicine

Kojic acid 0.298 – chelation agent produced by Aspergillus oryzae

Linamarin 0.384 * cyanogenic glucoside (e.g. lima beans, flax)

Lipoic acid 0.118 – essential cofactor for many enzymes

Lobeline (R/S) 0.484 / 0.608 ** GR natural alkaloid found in various Lobelia species

Longifolene 0.184 – sesquiterpene found in pine resins

Lotaustralin 0.432 * cyanogenic glucoside (e.g. lima beans, roseroot)

Luciferin 0.222 – bioluminescent (firefly)

Lupinine 0.186 – alkaloid present in Leguminosae plants

Luteolin 0.551 ** ERβ natural flavone (celery, green pepper, perilla and camomile tea)

Lysergol 0.461 * ergoline alkaloid found in fungi

Macromerine (R/S) 0.316 / 0.302 * psychoactive compound from Coryphanta macromeris

Melatonin 0.277 – naturally occurring hormone

Menadiol 0.292 – vitamin K₃ derivative

Menthol (1R,2S,5R) 0.179 – found in mint oils

β-Methylamino-L-alanine 0.149 – neurotoxin (cycad seeds)

β-Methylphenethylamine 0.330 * amphetamine-related compound found in many Acacia species

Mimosine 0.405 * alkaloid found in Mimosa species

Mitomycin 0.189 – lavendulea extract

Moronic acid 0.368 * triterpene found in sumac plants

Muscimol 0.286 – psychoactive alkaloid (mushrooms)

Naringenin 0.505 ** ERβ flavonoid (grapefruit juice): inhibits CYP 1A2

Nicotinamide 0.121 – amide of vitamin B₃

N-Nitrosonornicotine 0.117 – nitrosamine found in tobacco: carcinogen

Nonivamide 0.462 * capsaicinoid present in chili peppers

Nootkatone 0.285 – sesquiterpene aromatic of grapefruit

Norepinephrine 0.397 * hormone and neurotransmitter

Norpatchoulenol 0.131 – terpenoid found in patchouli oil

Noscapine 0.410 * benzoisoquinoline alkaloid (Papaveraceae plants)

Novobiocin 0.000 – aminocoumarin antibiotic (Streptomyces niveus)

Nuciferine 0.349 * alkaloid found in Nymphaea caerulea

Octopamine (R/S) 0.348 / 0.264 * biogenic amine found in salivar glands of the octopus

Orcin 0.186 – found in many lichens

L-Ornithine 0.437 * amino acid

Orotic acid 0.220 – historically vitamin B₁₃

Orselinic acid 0.086 – organic acid found in lychens

Papaverine 0.375 * alkaloid found in poppy

Paraxanthine 0.263 – caffeine metabolite (in animals)

Parietin 0.356 * cortical pigment of lichens

Patulin (R/S) 0.213 / 0.118 – mycotocin: genotoxic; restricted use in several countries

Paxilline 0.494 * toxic, tremorgenic indole alkaloid

Perillaldehyde 0.134 – monoterpenoid found in perilla herb

2-Phenethylamine 0.329 * monoamine alkaloid found e.g. in chocolate

Phenylacetic acid 0.025 – active auxin found in fruits

L-Phenylalanine 0.490 * natural amino acid

Physostigmine 0.312 * cholinesterase inhibitor alkaloid

Plumbagin 0.196 – naphtoquinone found in the plant genus Plumbago

Progesterone 0.633 ** AR steroid hormone

Psilocin 0.227 – hallucinogenic mushroom alkaloid

Psilocybin 0.418 – hallucinogenic found in psilocybin mushrooms

Psoralen 0.222 – furocoumarin

Pterin 0.196 – heterocyclic compound found in butterfly pigments

Pterostilbene 0.754 *** ERβ stilbenoid found in blueberries and grapes

Pulegone 0.205 – flavorant found in the essential oils of plants

Purpurin 0.303 * dye found in the roots of Rubia tinctorum

Pyridoxine 0.218 – Pyridoxol: vitamin B₆-related related

Pyroglutamic acid (R/S) 0.246 / 0.072 – uncommon amino acid

Quinic acid 0.202 – crystalline acid obtained from cinchona bark and coffee beans

Raspberry ketone 0.465 * primary aroma compound of red raspberries

Resveratrol 0.537 ** ERβ phytoalexin

Retronecine 0.210 – pyrrolizidine alkaloid

Rosaceae acid (E/Z) 0.295 / 0.390 * cucurbitan derivative (Alnus acuminata)

Rosmarinic acid 0.399 * antioxidant found in many Lamiaceae herbs

Rotenone 0.521 ** GR naturally occurring insecticide, piscicide, pesticide

Rutaecarpine 0.443 * alkaloid found in Evodia rutaecarpa

Rutin 0.337 *

Safranal 0.214 – aroma compound of saffron

Safrole 0.373 * sassafras plant extract

Salicylic acid 0.104 – plant hormone

Salvinorin A 0.363 * psychotropic component of Salvia divinorum

Samandaridine 0.593 ** GR toxic alkaloid produced by salamanders

Scoulerine 0.494 * alkaloid found in opium poppy

Serotonin 0.351 * neurotransmitter

Sesamol 0.354 * phenolic component of sesame oil

Shikimic acid 0.344 * biochemical intermediate in plants

Silibinin 0.366 * main active constituent of silymarin (Silybum marianum)

Sinapinic acid 0.334 * phenylpropanoid found in L. Sinapi

β-Sitosterol 0.493 * phytosterol found in many plants, e.g. black cumin seed

Sparteine 0.590 ** GR alkaloid (scotch broom, Lupinus mutabilis); antiarrhythmic agent

Spectinomycin 0.606 ** GR naturally occuring antibiotic (Streptomyces achromogenes)

Sterigmatocystin 0.598 ** GR dermatoxin poison

Streptozotocin 0.165 – aminocyclitol antibiotic (Streptomyces spectabilis)

Strychnine 0.757 *** GR alkaloid pesticide

Tangeritin 0.688 ** ERβ polymethoxylated flavone (tangerine, citrus peels)

Taurine 0.381 * major bile constituent

Tetrahydrobiopterin 0.291 – essential cofactor to aromatic hydroxylases

Tetrodotoxin 0.277 – neurotoxin: slightly toxic to mice

Theobromine 0.188 – bitter alkaloid (cacao plant)

Thymol 0.192 – monoterpene phenol (thyme oil)

L-Thyroxine 0.556 * TRβ thyroid hormone

Trioxsalen 0.355 * furanocoumarin (Psoralea corylifolia)

Umbelliferone 0.201 – widespread product of the coumarin family

Ursodiol 0.421 * secondary bile acid

Usnic acid 0.315 * dibenzofuran derivative found in lichen

Vanillin 0.322 * primary component of vanilla bean extract

Vincamine 0.454 * indole alkaloid (Vinva minor); peripheral vasodilator

Visnadine 0.304 * natural vasodilator isolated from bishop's weed (Ammi visnaga)

Vomitoxin 0.191 * mycotoxin

Xanthopterin 0.208 – inhibits growth of lymphocytes

Xantocillin 0.621 ** ERβ naturally occurring isocyanide (first isolated from Penicillum notatum)

Zingiberene 0.319 * sesquiterpene (oil of ginger)

11. Cosmetic Chemicals⁴

Compound Weighted toxic potential wTP class Main target Comments

Acetaminosalol 0.303 * UV absorber

Ambrox 0.425 * perfume odorant

Avobenzone 0.384 * sunscreen

Benzalphtalide 0.428 * UV absorber

Benzophenone 0.316 * UV absorber in perfumes and soaps: not mutagenic

Benzophenone-1 0.185 – UV absorber

Benzophenone-2 0.337 * UV absorber

Benzophenone-3 0.233 – UV absorber

Benzophenone-4 0.261 – UV absorber

Benzophenone-5 0.311 * UV absorber

Benzophenone-6 0.282 – UV absorber

Benzophenone-7 0.257 – UV absorber

Benzophenone-8 0.230 – UV absorber

Benzophenone-9 0.390 * UV absorber

Benzophenone-10 0.307 * UV absorber

Benzophenone-11 (R=H/CH₃) 0.297 / 0.213 – UV absorber

Benzophenone-12 0.354 * UV absorber

Benzylbenzoate 0.321 * food additive in artificial flavors: may cause allergies

Benzylsalicylate 0.344 * cosmetic ingredient: low acute toxicity; possibly nephrotoxic

Bornelone (keto/enol) 0.256 / 0.189 – UV absorber

2-Bromo-2-nitropropane-1,3-diol 0.072 – antimicrobial chemical agent: restricted use in Canada

Bumetrizole 0.452 * UV absorber

Citronellol 0.122 – perfumes, insect repellant (FDA: safe compound)

Diazolidinylurea (R/S) 0.430 / 0.250 * amine dialcohol: carcinogen; allergic reactions: carcinogen

Dibenzoxazinylnaphtalene 0.391 * UV absorber

Dibenzylideneacetone 0.430 * UV absorber

Diethanolamine 0.367 * amine dialcohol: inhibits fetal brain development in mice

Diisopropylethylcinnamate 0.156 – UV absorber

Diisopropylmethylcinnamate 0.150 – UV absorber

Dimorpholinopyridazinone 0.235 – UV absorber

Diphenylpiperazinylbenzimidazole 0.596 ** GR UV absorber

1,4-Dioxane 0.174 – aprotic solvent: eye and respiratory tract irritant

2,6-di-tert-butyl-4-methylphenol 0.219 – banned for food use in Japan, Sweden, Australia and US

Di-tert-butylhydroxybenzylidene camphor (1R6R/1R6S) 0.429 / 0.496 * UV absorber

Drometrizole 0.404 * UV absorber

4-Ethylamino-3-nitrobenzoic acid 0.262 – UV absorber

Ethylcinnamate 0.240 – UV absorber

Ethylmethoxycinnamate 0.287 – UV absorber

Ethylurocanate 0.183 – UV absorber

Eugenol 0.557 ** ERβ perfume odorant: over dosage causes various side effects

Evernyl 0.279 – perfume odorant

Farnesol 0.161 – perfume additive

Firsantol 0.385 * perfume odorant

Galaxolide (RR/RS/SR/SS) 0.458 / 0.418 / 0.471 / 0.532 ** ERα synthetic musk fragrance

Georgywood (RS/SR) 0.349 / 0.364 * perfume odorant

Geraniol 0.021 – perfume odorant

Hedione 0.153 – perfume odorant

Hydantoin 0.039 – cosmetic chemical

Isoeugenol 0.465 * perfume odorant

4-Isopropylbenzylsalicylate 0.411 * UV absorber

Linalool (R/S) 0.135 / 0.002 – soap, shampoo and lotion scent

4-Methylbenzylidenecamphor-sulfonic acid (1S,4R/1R,4S) 0.393 / 0.339 * UV absorber

6-Methylcoumarin 0.309 * perfume odorant

7-Methylcoumarin 0.278 – perfume odorant

Moxalone 0.417 * perfume odorant

Musk ketone 0.355 * synthetic musk fragrance

Musk xylene 0.404 * synthetic musk fragrance

Octrizole 0.313 * UV absorber

Oxobenzoxazinylnaphtalene sulfonanilide 0.614 ** GR UV absorber

Panthenol 0.000 – humectant, emolient, moisturizer: not toxic in rats

Propyleneglycol (R/S) 0.083 / 0.106 – moisturizer: not carcinogenic or genotoxic

2-tert-butyl-4-hydroxianisole 0.247 – antioxidant

3-tert-butyl-4-hydroxianisole 0.304 * antioxidant

tert-butyl-methoxydibenzomethane 0.231 – UV absorber

Tropional (R/S) 0.271 / 0.278 – perfume odorant

⁴ Other cosmetic chemicals are listed in class 1.

12. Various Chemicals

Compound Weighted toxic potential wTP class Main target Comments

Acenaphthene 0.273 – PAH: not carcinogenic

Acenaphthoquinone 0.252 – PAH: carcinogenic properties unclear

Acenaphthylene 0.322 * PAH

Acetanilide 0.176 – industrial chemical

2-Acetylaminofluorene 0.476 * carcinogenic, mutagenic

2-Acetylamino-3,7,8-trichlorodibenzo-p-dioxin 0.585 ** AhR suspected hazardous pollutant

Acibenzolar 0.101 – fungicide

Acridine 0.404 *

Acridine orange 0.335 * fluorescent dye

Acridine yellow 0.388 * fluorescent dye

Adamantane 0.098 –

Adrenochrome (R/S) 0.176 / 0.273 – pigment; hemeostatic properties

5-Aldoellipticine 0.448 *

Aldrin 0.250 – insecticide

Alizarin 0.371 * antraquinone dye: not highly toxic

Amidol 0.079 – photographic developer

3'-Amino-α-naphthoflavone 0.654 ** ERβ

4-Aminobenzoic acid 0.251 – PABA; essential nutrient for some bacteria

4-Aminobiphenyl 0.328 * azo dye

1-Amino-9-methoxyellipticine 0.604 ** ERβ

4-Amino-2-methyl-1-naphthol 0.282 – vitamin K₃ derivative

Aminothiazole 0.099 – chemical intermediate with antibacterial activity

3-Amino-1,2,4-triazole 0.074 – triazole herbicide

2-Amino-3,7,8-trichlorodibenzo-p-dioxin 0.549 ** AhR suspected hazardous pollutant

7-Amino-2,3-dichlorodibenzo-p-dioxin 0.397 * suspected hazardous pollutant

Anisoylchloride (o/m/p) 0.321 / 0.247 / 0.266 * acyl halide

Anthrone 0.382 * tricyclic aromatic hydrocarbon

Atrazine 0.304 * herbicide: teratogen in frogs; endocrine disruptor

Auramine O 0.203 – diarylmethane dye

Aurin 0.630 ** ERβ pH indicator

Azobenzene 0.387 * historically used as dye

3-Azo-5,11-diketoellipticine 0.510 ** AhR

3-Azoellipticine 0.533 ** AhR

4-Azo-8-methoxyellipticine 0.545 ** AhR

Azulene 0.253 – monoterpene (isomer of naphtalene)

Benomyl 0.362 * fungicide

Benzanthrone 0.421 * aromatic hydrocarbon (dyestuff)

Benzidine 0.408 * carcinogenic aromatic amine

Benzilic acid 0.152 –

Benzo[c]cinnoline 0.340 * tricyclic aromatic compound

Benzo[a]fluorene 0.549 ** AhR suspected hazardous pollutant

Benzo[b]fluorene 0.549 ** AhR suspected hazardous pollutant

Benzoic acid 0.238 – food preservative

Benzoin (R/S) 0.204 / 0.131 – desyl alcohol

Benzothiadiazine 0.236 – industrial chemical

Benzothiazole 0.181 – industrial chemical

Benzotriazole 0.222 – corrosion inhibitor, aircraft deicer

Benzoylchloride 0.230 – chemical intermediate

Benzoylperoxide 0.181 – radical initiator

Benzylbutylphthalate 0.321 * plasticizer

Benzylideneacetone 0.205 – α,β-unsaturated ketone

Bifenthrin (R/S) 0.499 / 0.474 * insecticide

2,2'-Bipyridine 0.286 – transition-metal chelator

1,8-Bis(dimethylamino)naphthalene 0.311 * highly basic diamine

Bis(2-ethylhexyl)phthalate (RR/RS/SR/SS) 0.297 / 0.229 / 0.361 / 0.236 * plasticizer

Bismarck brown Y 0.223 – diazo dye used for tissue staining

Bisphenol-AF⁵ 0.481 * polymer additive

Bisphenol-AP 0.565 ** ERβ polymer additive

Bisphenol-BP 0.409 * polymer additive

Bisphenol-C 0.622 ** ERα polymer additive

Bisphenol-E 0.553 ** ERβ polymer additive

Bisphenol-F 0.523 ** ERβ skin, eye and respiratory irritant

Bisphenol-FL 0.375 * polymer additive

Bisphenol-G 0.498 * polymer additive

Bisphenol-M 0.735 *** ERα polymer additive

Bisphenol-P 0.625 ** ERα polymer additive

Bisphenol-PH 0.379 * polymer additive

Bisphenol-S 0.216 – polymer additive

Bisphenol-T (R/S) 0.514 / 0.461 ** ERα polymer additive

Bisphenol-Z 0.441 * polymer additive

Bromocresol purple 0.518 ** ERβ pH indicator

Bromophenol blue 0.513 ** GR pH indicator, color marker dye

7-Bromo-2,3-dichlorodibenzo-p-dioxin 0.626 ** AhR suspected hazardous pollutant

8-Bromo-2,3-dichlorodibenzofuran 0.581 ** AhR suspected hazardous pollutant

8-Bromomethyl-2,3,4-trichlorodibenzofuran 0.553 ** AhR suspected hazardous pollutant

8-Bromo-2,3,4-trichlorodibenzofuran 0.608 ** AhR suspected hazardous pollutant

2-Bromo-3,7,8-trichlorodibenzo-p-dioxin 0.763 *** AhR suspected hazardous pollutant

Butyrophenone 0.204 – aromatic ketone

Calcein (open form/hemi-acetal) 0.041 / 0.022 – fluorescent dye

Camphene 0.145 – bicyclic monoterpene

Caprolactam 0.151 – organic monomer (nylon-6)

Carbaryl 0.239 – insecticide: toxic (cholinesterase inhibitor)

Carbazole 0.445 * antrachinone dye

β-Carboline 0.354 * organic amine

Chinizarine 0.270 – antrachinone dye

4-Chloroaniline 0.144 – chlorinated derivative of aniline

Chlorobenzene 0.154 – aromatic organic compound

1-Chlorodibenzo-p-dioxin 0.379 * suspected hazardous pollutant

2-Chlorodibenzofuran 0.366 * suspected hazardous pollutant

3-Chlorodibenzofuran 0.341 * suspected hazardous pollutant

8-Chlorotheophylline 0.115 – xanthine derivative (stimulant properties)

2-Chloro-4-biphenylol 0.500 ** ERβ fungicide

4-Chlorodibenzofuran 0.413 * suspected hazardous pollutant

p-Chlorocresol 0.387 * antiseptic, preservative agent

Chlorphenol red 0.420 * pH indicator

Chloroxylenol 0.418 * antibacterial agent (soaps)

Chlorpyrifos 0.192 – organophosphate insecticide

Chlorquinaldol 0.370 * antiseptic, disinfectant

Chlortoluron 0.354 * herbicide

Chromotropic acid 0.378 * analytical agent (dye)

Cinnoline 0.198 – aromatic heterocyclic compound

Cinoxate 0.317 * ingredient of sunscreens

Clofibric acid 0.121 – herbicide

Coronene 0.722 *** AhR PAH, occurs in carpathite

Cotinine 0.122 – nicotine metabolite

Coumaphos 0.469 * ectoparasitizide

Cubane 0.022 – synthetic hydrocarbon

2-Cyano-3,7,8-trichlorodibenzo-p-dioxin 0.722 *** AhR suspected hazardous pollutant

7-Cyano-2,3-dichlorodibenzo-p-dioxin 0.675 ** AhR suspected hazardous pollutant

Cyanuric acid 0.282 – triazine (bleaches, disinfectants, herbicides)

Cyanuric chloride 0.136 – trimer of cyanogen chloride

Cyclohexenone 0.058 – versatile organic intermediate

Cyclohexylamine 0.366 * organic chemical

Cyclohexylnitrite 0.091 – chemical with antianginal properties

Cyclonite (RDX) 0.118 – explosive nitroamine

Cypermethrin (cis/trans) 0.439 / 0.328 * primarily used as an insecticide

DABCO (1,4,diazabicyclo[2.2.2]octane) 0.244 – chemical catalyst

Dantron 0.323 * anthraquinone derivative

DAPI (4'6-diamino-2-phenylindole) 0.344 * fluorescent stain

2-Deazo-5,11-diketoellipticine 0.627 ** AhR

2-Deazoellipticine 0.522 ** AhR

Decabromodiphenylether 0.576 ** GR brominated flame retardant

N,N-Diethyl-meta-toluamide (DEET) 0.160 – active ingredient in insect repellants

Dehydroacetic acid 0.410 * fungicide, bactericide

Dehydrocholic acid 0.533 ** GR synthetic bile acid

7,8-Dehydrorutaecarpine 0.644 ** AhR

Deltamethrin (cis/trans) 0.400 / 0.306 * insecticide

Dettol (p-chlorometaxylenol: PCMX) 0.442 * antiseptic

3,3'-Diaminobenzidine 0.272 – used to detect fingerprints in blood

3,4-Diaminodiphenylmethane 0.183 –

4,4-Diaminodiphenylmethane 0.138 –

Dianin's compound (R/S) 0.473 / 0.508 ** ERα condensation isomer of Bisphenol A and acetone

Diatrizoic acid 0.347 * radiocontrast agent

Diazinon 0.088 – insecticide

Dibenzo[ac]anthracene 0.755 *** AhR suspected hazardous pollutant

Dibenzofuran 0.309 * suspected hazardous pollutant

3-Dibenzofuranamine 0.244 – suspected hazardous pollutant

2,5-Dichloro-4'-biphenylol 0.698 ** ERβ fungicide

2,8-Dichlorodibenzo-p-dioxin 0.500 ** AhR suspected hazardous pollutant

2,3-Dichlorodibenzofuran 0.452 * suspected hazardous pollutant

2,6-Dichlorodibenzofuran 0.473 * suspected hazardous pollutant

2,8-Dichlorodibenzofuran 0.469 * suspected hazardous pollutant

Dichlorodiphenyldichloroethylene (DDE) 0.313 * DDT metabolite

Dichlorophen 0.358 * anticestodal agent

Dieldrin 0.217 – insecticide

Difloxacin 0.557 ** GR quinolone

Diiodohydroxyquinoline 0.236 – quinoline derivative

7,12-Dimethylbenzo[a]anthracene 0.632 ** AhR suspected hazardous pollutant

Dimethylbenzylamine 0.237 – organic catalyst (for PU foams and resins)

Dimethylterephtalate 0.239 – chemical intermediate (polyester production)

Dinoseb (R/S) 0.191 / 0.276 – herbicide

Dioxathion 0.196 – insecticide

Dioxybenzone 0.194 – UVB and short-wave UVA blocker in sunscreens

Diphenylacetylene 0.363 *

Diphenylketene 0.186 –

Diphenylmethane 0.292 –

Diphenylmethanol 0.240 – used in perfumes

Disperse Red 9 0.367 * Anthraquinone dye

Disperse Red 11 0.472 * Anthraquinone dye

Di-tertbutyl-dicarbonate 0.023 – organic reagent

Divinylbenzene (meta/para) 0.253 / 0.246 – styrene derivative

Dodecylbenzene 0.210 – anionic detergent

Droxidopa 0.542 ** ERβ synthetic amino acid

EDTA 0.409 * chelating agent

Eosin (B/Y) 0.283/ 0.275 – fluorescent dye

Ethacridine 0.437 *

8-Ethyl-2,3,4-trichlorodibenzofuran 0.635 ** AhR suspected hazardous pollutant

Etofenprox 0.541 ** ERα insecticide

Fenoxycarb 0.317 * insecticide

Fenvalerate (RR/RS/SR/SS) 0.448 / 0.313 / 0.319 / 0.309 * insecticide

Fipronil 0.194 – insecticide

Flavanole 0.441 * synthetic flavone

Flavanone 0.740 *** ERβ synthetic flavone

Flavone 0.453 * synthetic flavone

Flavonole 0.537 ** ERβ synthetic flavone

Fluoranthene 0.468 * PAH found in combustion products

Fluorene 0.348 * PAH used to make dyes, plastics, pesticides

Fluorenone 0.360 * oxidation product of fluorene

Fluorescein 0.251 – fluorophore commonly used in microscopy

7-Fluoro-2,3-dichlorodibenzo-p-dioxin 0.625 ** AhR suspected hazardous pollutant

8-Fluoro-2,3-dichlorodibenzofuran 0.550 ** AhR suspected hazardous pollutant

Fluorone 0.457 * basic skeleton for various chemicals

2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin 0.664 *** AhR suspected hazardous pollutant

8-Fluoro-2,3,4-trichlorodibenzofuran 0.626 ** AhR suspected hazardous pollutant

Formebolone 0.638 ** ERβ anabolic steroid

Fuchsine 0.335 * magenta dye

Furazabol 0.651 ** AR derivative of the anabolic steroid stanozolol

Furylfuramide 0.115 – food preservative: withdrawn from market

Gentisic acid 0.129 – antioxidant excipient

Gonan (cis/trans) 0.437 / 0.465 * saturated, unsubstituted steran

Glyphosate 0.366 * systemic herbicide

Hematein 0.309 * oxidized derivative of haematoxylin

HEPES 0.452 * zwitterionic buffering agent

2,2',4,4',5,5'-Hexachlorobiphenyl 0.490 * suspected hazardous pollutant

2,3,3',4,4',5-Hexachlorobiphenyl 0.546 ** AhR suspected hazardous pollutant

2,3,3',4,4',5'-Hexachlorobiphenyl 0.492 * suspected hazardous pollutant

2,3',4,4',5,5'-Hexachlorobiphenyl 0.507 ** AR suspected hazardous pollutant

2,3',4,4',5',6-Hexachlorobiphenyl 0.461 * suspected hazardous pollutant

1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin 0.699 ** AhR suspected hazardous pollutant

1,2,3,6,7,8-Hexachlorodibenzofuran 0.706 *** AhR suspected hazardous pollutant

1,2,4,6,7,8-Hexachlorodibenzofuran 0.605 ** AhR suspected hazardous pollutant

2,3,4,6,7,8-Hexachlorodibenzofuran 0.711 *** AhR suspected hazardous pollutant

Hexachlorophene 0.372 * disinfectant

Hexamidine 0.273 – antiseptic, disinfectant

Hydroquinone 0.079 – reducing agent

7-Hydroxy-2,3-dichlorodibenzo-p-dioxin 0.473 * suspected hazardous pollutant

8-Hydroxy-2,3-dichlorodibenzofuran 0.373 * suspected hazardous pollutant

6α-Hydroxyestradiol 0.755 *** ERβ flavone

8-Hydroxyquinoline 0.229 – chelating agent

Hydroxystilbamidine 0.276 – fluorescent dye

2-Hydroxy-3,7,8-trichlorodibenzo-p-dioxin 0.532 ** AhR suspected hazardous pollutant

8-Hydroxy-2,3,4-trichlorodibenzofuran 0.426 * suspected hazardous pollutant

Indanthrene blue RS 0.556 ** GR anthraquinone dye

Indene 0.145 – flammable polyciclic hydrocarbon

Indigo 0.293 – indigo dye: banned in Norway

Iobenzamic acid 0.380 * contrast medium

Iocetamic acid (R/S) 0.101 / 0.173 – contrast medium

Iodamide 0.311 * contrast medium

7-Iodo-2,3-dichlorodibenzo-p-dioxin 0.647 ** AhR suspected hazardous pollutant

2-Iodo-3,7,8-trichlorodibenzo-p-dioxin 0.741 *** AhR suspected hazardous pollutant

8-Iodo-2,3-dichlorodibenzofuran 0.497 * suspected hazardous pollutant

8-Iodo-2,3,4-trichlorodibenzofuran 0.526 ** AhR suspected hazardous pollutant

Iotalamic acid 0.407 * contrast medium

Isobenzofuran 0.178 –

Isoflavanoide 0.599 ** ERβ synthetic flavone

Isoindole 0.200 –

Isophtalic acid 0.313 *

8-Isopropyl-2,3-dichlorodibenzofuran 0.619 ** AhR suspected hazardous pollutant

8-Isopropyl-2,3,4-trichlorodibenzofuran 0.696 ** AhR suspected hazardous pollutant

Isoquinoline 0.226 –

Isosafrole 0.414 * aromatic organic chemical

Lipoamide 0.158 –

Lumiflavin 0.530 ** ERβ toxic product of the photolysis of vitamin B₂

Luminol 0.191 – chemical exhibiting chemiluminescence

Melamine 0.024 – plastic material

Menadione 0.251 – aromatic ketone

Merocyanine I 0.185 – fluorescent dye

3'-Methoxy-4'-aminoflavone 0.524 ** GR

7-Methoxycarbonyl-2,3-dichlorodibenzo-p-dioxin 0.699 ** AhR suspected hazardous pollutant

Methoxychlor 0.544 ** ERβ insecticide

7-Methoxy-2,3-Dichlorodibenzo-p-dioxin 0.622 ** AhR suspected hazardous pollutant

8-Methoxy-2,3-dichlorodibenzofuran 0.676 ** AhR suspected hazardous pollutant

8-Methoxyellipticine 0.522 ** AhR

9-Methoxyellipticine 0.419 *

3'-Methoxy-4'-nitro-α-naphthoflavone 0.727 *** AhR

3'-Methoxy-4'-nitroflavone 0.522 ** AhR

2-Methoxy-3,7,8-trichlorodibenzo-p-dioxin 0.713 *** AhR suspected hazardous pollutant

8-Methoxy-2,3,4-trichlorodibenzofuran 0.620 ** AhR suspected hazardous pollutant

2-Methylbenzo[a]anthracene 0.702 *** AhR suspected hazardous pollutant

5-Methylbenzo[a]anthracene 0.695 ** AhR suspected hazardous pollutant

6-Methylbenzo[a]anthracene 0.668 ** AhR suspected hazardous pollutant

7-Methylbenzo[a]anthracene 0.650 ** AhR suspected hazardous pollutant

8-Methylbenzo[a]anthracene 0.700 *** AhR suspected hazardous pollutant

11-Methylbenzo[a]anthracene 0.674 ** AhR suspected hazardous pollutant

12-Methylbenzo[a]anthracene 0.591 ** AhR suspected hazardous pollutant

7-Methyl-2,3-dichlorodibenzo-p-dioxin 0.615 ** AhR suspected hazardous pollutant

8-Methyl-2,3-dichlorodibenzofuran 0.523 ** AhR suspected hazardous pollutant

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine 0.360 * neurotoxin

2-Methyl-3,7,8-trichlorodibenzo-p-dioxin 0.670 ** AhR suspected hazardous pollutant

8-Methyl-2,3,4-trichlorodibenzofuran 0.586 ** AhR suspected hazardous pollutant

Michler's ketone 0.351 * intermediate in the production of dyes

Mirex 0.354 * insecticide

Naphtacenequinone 0.618 ** AhR

Naphtalene 0.280 – PAH: carcinogenic in mice and rats

α-Naphthoflavone 0.514 ** AhR

1,4-Naphthoquinone 0.205 – antibacterial and antitumor properties

1-Naphthylamine 0.219 – aromatic amine

Neutral red 0.343 * eurhodin dye

Nile red 0.546 ** AhR lipophilic stain

Nitrilotriacetic acid 0.134 – chelating agent

3'-Nitro-α-naphthoflavone 0.561 ** AhR

4'-Nitro-α-naphthoflavone 0.625 ** AhR

7-Nitro-2,3-dichlorodibenzo-p-dioxin 0.696 ** AhR suspected hazardous pollutant

2-Nitro-3,7,8-trichlorodibenzo-p-dioxin 0.756 ** AhR suspected hazardous pollutant

Nonylphenol (various isomers) 0.403–0.606 ** ERβ surfactant, spermicide

Norbolethone 0.617 ** AR anabolic steroid

1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin 0.727 *** AhR suspected hazardous pollutant

Octabenzone 0.469 * UV absorber

Octachlorodperylene-diimide 0.757 *** AhR organic semiconductor

Octylphenol (linear/branched) 0.518 / 0.531 ** ERβ polymer additive, surfactant

Oil Blue A 0.274 – anthraquinone dye

Oil Yellow DE 0.315 * azo dye

Ovalene 0.559 ** AhR PAH

Oxolinic acid 0.382 * quinoline antibiotic used in veterinary medicine

Oxypurinol 0.216 – xanthine oxidase inhibitor

Padimate-A 0.220 – used as UV filter in sunscreens

Padimate-O (R/S) 0.245 / 0.226 – used as UV filter in sunscreens

Para Red 0.232 – azo dye

Pendimethalin 0.176 – preemergent herbicide

2,3,3',4,4'-Pentachlorobiphenyl 0.495 * suspected hazardous pollutant

2,3,4,4',5-Pentachlorobiphenyl 0.514 ** AhR suspected hazardous pollutant

2,3',4,4',5-Pentachlorobiphenyl 0.487 * suspected hazardous pollutant

2',3,4,4',5-Pentachlorobiphenyl 0.508 ** 1A2 suspected hazardous pollutant

3,3',4,4',5-Pentachlorobiphenyl 0.573 ** AhR suspected hazardous pollutant

1,2,3,4,7-Pentachlorodibenzo-p-dioxin 0.657 ** AhR suspected hazardous pollutant

1,2,3,7,8-Pentachlorodibenzo-p-dioxin 0.713 *** AhR suspected hazardous pollutant

1,2,4,7,8-Pentachlorodibenzo-p-dioxin 0.628 ** AhR suspected hazardous pollutant

1,2,3,4,8-Pentachlorodibenzofuran 0.615 ** AhR suspected hazardous pollutant

1,2,3,7,9-Pentachlorodibenzofuran 0.619 ** AhR suspected hazardous pollutant

1,2,4,6,7-Pentachlorodibenzofuran 0.570 ** AhR suspected hazardous pollutant

1,2,4,6,8-Pentachlorodibenzofuran 0.571 ** AhR suspected hazardous pollutant

1,2,4,7,8-Pentachlorodibenzofuran 0.637 ** AhR suspected hazardous pollutant

1,2,4,7,9-Pentachlorodibenzofuran 0.531 ** AhR suspected hazardous pollutant

1,3,4,7,8-Pentachlorodibenzofuran 0.690 ** AhR suspected hazardous pollutant

Pentacene 0.609 ** AhR PAH

Permethrin (cis/trans) 0.351 / 0.331 * insecticide, acaricide

Phenanthrene 0.468 * PAH found in cigarette smoke: known irritant

Phenazine 0.355 * parent substance of many dyestuffs

Phenidone 0.153 – photographic developer

Phenol 0.283 – antiseptic: developmental toxicity in animals

Phenolphthalein 0.536 ** ERα titration dye

Phenothiazine 0.391 * insecticide

Phenothrin (E/Z) 0.270 / 0.330 * insecticide

Phenylacetylene 0.197 – liquid analog of acetylene

7-Phenyl-2,3-dichlorodibenzo-p-dioxin 0.808 **** AhR suspected hazardous pollutant

2-Phenylphenol 0.238 – biocide, preservative

4-Phenyl-4-(1-piperidinyl)cyclohexanol 0.427 * metabolite of phencyclidine

N-(5-Phenylpyridin-2-yl)benzamide 0.717 *** AhR firefly luciferase inhibitor

Picene 0.647 ** AhR suspected hazardous pollutant

Picloram 0.275 – herbicide

Pipemidic acid 0.606 ** GR quinolone

Piromidic acid 0.357 * quinolone

Propoxur 0.106 – insecticide

Prostanozol 0.615 ** AR anabolic steroid

Purpuric acid 0.289 – complexometric indicator

Purpurine 0.283 – antrachinone dye: cancerogenic in rats; cytotoxic

Quinaldine 0.233 – quinoline derivative

Quinoxaline 0.199 – isomer of quinazoline

Setoperone 0.633 ** GR radioligand for studying neuropsychiatric disorders

Simazine 0.265 – herbicide

Skatole 0.203 – found in coal tar, mammalian feces, beets

Stenbolone 0.714 *** AR anabolic steroid

Styrene 0.207 – aromatic hydrocarbon (precursor to polystyrene)

Sudan I 0.328 * azo dye

Sudan II 0.376 * azo dye

Sudan III 0.278 – azo dye

Sulisobenzone 0.280 – UV filter in sunscreens

Temefos 0.399 * larvicide

7-Tert.butyl-2,3-Dichlorodibenzo-p-dioxin 0.741 *** AhR suspected hazardous pollutant

8-Tert.butyl-2,3-dichlorodibenzofuran 0.659 ** AhR suspected hazardous pollutant

8-Tert.butyl-2,3,4-trichlorodibenzofuran 0.709 *** AhR suspected hazardous pollutant

Tetracene 0.802 **** AhR PAH

2,2',4,4'-Tetrachlorobiphenyl 0.429 * suspected hazardous pollutant

2,3,4,5-Tetrachlorobiphenyl 0.495 * suspected hazardous pollutant

3,3',4,4'-Tetrachlorobiphenyl 0.564 ** AhR suspected hazardous pollutant

3,4,4',5-Tetrachlorobiphenyl 0.520 ** AhR suspected hazardous pollutant

1,2,3,4-Tetrachlorodibenzo-p-dioxin 0.516 ** AhR suspected hazardous pollutant

1,3,7,8-Tetrachlorodibenzo-p-dioxin 0.611 ** AhR suspected hazardous pollutant

1,2,3,6-Tetrachlorodibenzofuran 0.572 ** AhR suspected hazardous pollutant

1,2,3,7-Tetrachlorodibenzofuran 0.634 ** AhR suspected hazardous pollutant

1,2,4,8-Tetrachlorodibenzofuran 0.451 * suspected hazardous pollutant

2,3,4,6-Tetrachlorodibenzofuran 0.547 ** AhR suspected hazardous pollutant

2,3,4,7-Tetrachlorodibenzofuran 0.700 *** AhR suspected hazardous pollutant

2,3,4,8-Tetrachlorodibenzofuran 0.620 ** AhR suspected hazardous pollutant

2,3,6,8-Tetrachlorodibenzofuran 0.634 ** AhR suspected hazardous pollutant

Tetramethrin (cis/trans) 0.250 / 0.305 – insecticide

Tetrathiafulvalene 0.224 – organosulfur compound

Thiondigo 0.346 * indigo dye

Tosylchloramide 0.174 – antiseptic, disinfectant

2,4,5-Trichlorophenoxyacetic acid 0.333 * herbicide

1,2,4-Trichlorodibenzo-p-dioxin 0.433 * suspected hazardous pollutant

2,3,7-Trichlorodibenzo-p-dioxin 0.608 ** AhR suspected hazardous pollutant

1,3,6-Trichlorodibenzofuran 0.502 ** AhR suspected hazardous pollutant

1,3,8-Trichlorodibenzofuran 0.462 * suspected hazardous pollutant

2,3,4-Trichlorodibenzofuran 0.531 ** AhR suspected hazardous pollutant

2,3,8-Trichlorodibenzofuran 0.542 ** AhR suspected hazardous pollutant

2,6,7-Trichlorodibenzofuran 0.588 ** AhR suspected hazardous pollutant

Triclocarban 0.566 ** AhR anti-bacterial/fungal agent (soaps/disinfectants)

Triclosan 0.173 – antibacterial and antifungal agent

ortho-Tricresylphosphate 0.310 * organophosphate compound

Triphenylamine 0.298 – electroluminescence compound

Triphenylphosphate 0.282 – plasticizer, flame retardant

7-Trifluoromethyl-2,3-dichlorodibenzo-p-dioxin 0.707 *** AhR suspected hazardous pollutant

8-Trifluoromethyl-2,3,4-trichlorodibenzofuran 0.662 ** AhR suspected hazardous pollutant

3,4',6-Trihydroxyflavone 0.668 ** ERβ flavone

Triphenylene 0.471 * PAH (coal tar)

Triphenylethylene 0.425 * nonsteroidal antiestrogen

Tropinone 0.293 – synthetic alkaloid

Vat Yellow 4 (Golden Yellow K) 0.735 *** AhR anthraquinone vat dye

Warfarin 0.305 * anticoagulant: various side effects

Xanthone 0.383 * insecticide, ovicide

⁵ Bisphenol A and B are listed in class 1.

13. Pesticides

Compound Weighted toxic potential wTP class Main target Comments

Aminopyralid 0.218 – non-toxic to birds, fish, honeybees

Anabasine 0.340 * insecticide

Azoxystrobin 0.221 – fungicide

Beflubutamid 0.274 – very low toxicity in animals

Brodifacoum (cis/trans) 0.450 / 0.538 ** GR rodenticide: highly lethal anticoagulant poison

Bromethalin 0.524 ** AR rodenticide

Bromoxynil 0.347 * moderate acute toxicity; possible carcinogen

Captan 0.234 – fungicide

Carbendazim 0.470 * WHO: unlikely to present hazard in normal use

Carbofuran 0.198 – high acute toxicity in humans

Chlorophacinone (R/S) 0.173 / 0.448 – rodenticide

Clodinafop 0.405 * slightly toxic

Clofentezine 0.331 * slight acute toxicity, possible carcinogen

Clomazone 0.263 – moderate acute toxicity

Clopyralid 0.310 * highly toxic

Coumatetralyl 0.357 * rodenticide; anticoagulant

Crimidine 0.206 – rodenticide

Cyproconazole (RR/RS/SR/SS) 0.113 / 0.000 / 0.078 / 0.003 – mice: carcinogenic; rats: developmental toxicity

Cyprodinil 0.353 * acute oral, dermal and inhalation toxicity (EPA: III–IV)

Dicamba 0.309 * acute toxicity (EPA: III)

Dichlorprop 0.219 – slight acute, high developmental toxicity

Dicofol 0.341 * miticide

Difenacoum (cis/trans) 0.297 / 0.401 * rodenticide; anticoagulant

Difethialone 0.335 * rodenticide; anticoagulant

Diflubenzuron 0.410 * slight acute toxicity

Dimethenamid 0.050 – moderate acute toxicity

Dimethomorph (E/Z) 0.451 / 0.411 * slight acute toxicity

Dimoxystrobin 0.232 –

Diphenadione 0.229 – rodenticide

Diuron 0.338 * slightly toxic to animals

Endrin 0.286 – insecticide

Esfenvalerate 0.375 * highly toxic to bees and fish

Ethofumesate 0.271 – no genotoxic/carcinogenic potential

Fenamidone 0.231 – not toxic to rodents

Fenarimol 0.319 * slightly toxic to mammals

Fenhexamid 0.349 * slightly toxic in rats

Fenpropidin (R/S) 0.321 / 0.329 *

Flocoumafen 0.509 ** GR rodenticide; anticoagulant

Flonicamid 0.071 – low acute toxicity

Fluazinam 0.595 ** AhR

Fludioxonil 0.389 * body-weight decrease; not cancerogenic

Flurprimidol 0.144 – endocrine disruptor in adrenal cortex and ovary

Fuberidazole 0.256 – moderate acute toxicity

Imazalil 0.169 – moderate acute toxicity; liver toxicity in animals

Indandione 0.252 – rodenticide; anticoagulant

Iprodione 0.499 * fungicide

Isoproturon 0.265 – slightly hazardous

Isoxaflutole 0.306 * slight acute toxicity; likely to be a carcinogen

Mecoprop 0.282 – slightly toxic; teratogenic to rats

Metalaxyl 0.158 – no mutagenic and teratogenic potential

Metachlor (S) 0.184 –

Metazachlor 0.114 – low acute, dermal, and inhalation toxicity

Metconazole (RR/SS) 0.140 / 0.241 – liver tumors in mice

2-Methyl-4-chlorophenoxyacetic acid 0.129 – slightly toxic, restricted use

Metrafenone 0.270 – carcinogenic in mice

Myclobutamil (R/S) 0.186 / 0.280 – slight acute toxicity; toxic to aquatic organisms

Myristicin 0.328 * naturally occurring insecticide (nutmeg)

α-Naphthylthiourea 0.322 – rodenticide

Napropamide (R/S) 0.277 / 0.274 – slightly toxic (EPA: III)

Parathion 0.045 – insecticide

Penconazole (R/S) 0.132 / 0.217 – developmental toxicity in rats

Pethoxamid 0.180 – hepatotoxic in rats

Phosacetim 0.238 – rodenticide

Pindone 0.286 – rodenticide

Procymidone 0.348 *

Propiconazole (RR/RS/SR/SS) 0.219 / 0.155 / 0.173 / 0.290 –

Propyzamide 0.229 – slightly toxic

Prosulfocarb 0.142 – low dermal and inhalational toxicity

Pymetrozine 0.078 – low acute toxicity to humans

Pyraflufen 0.282 – highly toxic

Pyridate 0.306 * low toxicity in rats, rabbits, fish, wildlife

Pyrimethanil 0.420 * growth inhibition the of H. uvarum

Pyrinuron 0.326 * rodenticide

Quimerac 0.356 *

Quinoxufen 0.457 *

Spirodiclofen 0.459 *

Spiroxamine 0.468 *

Sulcotrione 0.284 –

Tebufenozide 0.222 –

Tebufenpyrad 0.247 –

Teflubenzurone 0.471 *

Tepraloxydime (RE/RZ/SE/SZ) 0.249 / 0.212 / 0.198 / 0.196 –

Terbutylazine 0.362 *

Tetraconazole (R/S) 0.205 / 0.164 –

Tetramethylenedisulfotetramine 0.161 – rodenticide

Thiabendazole 0.243 –

Thiram 0.044 –

Triasulfuron 0.268 –

Tribenuron 0.331 *

Triclopyr 0.152 –

Trifluralin 0.359 *

Trinexapac (R/S) 0.287 / 0.258 –

Triticonazole (R/S) 0.147 / 0.197 –

Vinclozolin (R/S) 0.233 / 0.264 – fungicide

Zoxamide 0.190 –

14. Miscellaneous Compounds

Compound Weighted toxic potential wTP class Main target Comments

Adrafinil 0.246 – central nervous system stimulant: orafacial side effects

Aristolochic acid 0.318 * rodent carcinogen

Aspartame 0.401 * artificial sweetener

Atropin (R/S) 0.412 / 0.352 * anticholinergic: poisonous at high dosage

Cyclosarin 0.115 – nerve agent

Deguelin 0.509 ** GR rotenoid: anti-cancer activity, no cytotoxicity

Desoxymethyltestosterone 0.677 ** AR anabolic steroid

Dextroamphetamine 0.481 * psychostimulant: several (including severe) side effects

Ethylestrenol 0.634 ** AR anabolic steroid

Genistein 0.547 ** ERβ phytoestrogen

Heroin 0.461 * semi-synthetic opioid: lethal in overdose

Hyoscyamin 0.484 * tropane alkaloid drug: several (including severe) side effects

Medroxyprogesterone 0.475 * treatment of endometriosis, AMB and amenorrhea

Methadone (R/S) 0.332 / 0.446 * analgesic, antitussive, anti-addictive: toxic in overdose

Methandrostenolone 0.616 ** AR anabolic steroid

N-Methylamphetamine 0.360 * psychostimulant: various side effects with chronic use

Methyltestosterone 0.705 *** AR anabolic steroid

Mifepristone 0.424 * abortifacient: various serious side effects

Norethisterone 0.642 ** ERβ oral contraceptive: various side effects

Norethynodrel 0.578 * ERβ oral contraceptive

Pentobarbital (R/S) 0.095 / 0.188 – short-acting barbiturate: euthanasiant

Pregnenolone 0.707 *** ERα steroid hormone (prohormone)

Quinine 0.462 * antimalarial, analgesic: cinchonism

3-Quinuclidinyl benzilate 0.553 ** GR incapacitating agent

Scopolamine 0.216 – tropane alkaloid drug: several side effects

Sildenafil 0.342 * lifestyle drug: rare but severe side effects

Tadalafil 0.493 * lifestyle drug: various side effects

Tetrahydrocannabinol 0.409 * psychoactive substance: mutagenic (AMES); neurobehavioral toxicity

Vardenafil 0.402 * lifestyle drug: various side effects

Yohimbin 0.416 * aphrodisiac: significant side effects; dangerous at high dosage

15. Doping: compounds banned by the NCAA⁶

Compound Weighted toxic potential wTP class Main target Comments

Amiphenazole 0.152 – respiratory stimulant

Amphetamine (R/S) 0.365 / 0.451 * performance enhancer

Androstenediol (4-/5-) 0.734 / 0.705 *** ERβ / ERα steroid (metabolite of DHEA)

Androstenedione 0.479 * steroid hormone (adrenal glands)

Benzphetamine 0.325 * anti-obesity drug

Boldenone 0.588 ** AR anabolic steroid (developed for veterinary use)

Chlorphentermine 0.343 * appetite suppressant

Clostebol 0.700 *** AR anabolic androgenic steroid

Dehydrochlormethyltestosterone 0.724 *** AR anabolic steroid

Diethylcathinone (R/S) 0.392 / 0.192 – appetite suppressant

Dihydrotestosterone 0.638 ** AR biologically active metabolite of testosterone

Dimethylamphetamine (R/S) 0.311 / 0.251 * stimulant drug

Doxapram 0.342 * respiratory stimulant

Drostanolone 0.671 ** AR anabolic steroid

Ethylamphetamine (R/S) 0.323 / 0.2392 * stimulant drug

Ephedrine 0.333 * stimulant

Ethamivan 0.446 * respiratory stimulant

Fencamfamine 0.561 ** GR appetite suppressant

Fentermine (Phentermine) 0.483 * appetite suppressant

Fluoxymesterone 0.509 ** GR androgen to increase strength and aggression

Nandrolone 0.585 ** AR anabolic steroid

Norandrostenediol 0.741 *** ERβ anabolic steroid

Norandrostenedione 0.484 * anabolic steroid

Norethandrolone 0.648 ** AR anabolic steroid

Oxandrolone 0.745 *** AR anabolic steroid

Oxymesterone 0.706 *** ERα anabolic steroid

Oxymetholone 0.666 ** ERβ anabolic steroid

Pentylenetetrazol 0.096 – respiratory stimulant

Phendimetrazine 0.177 – weight loss medication

Phenmetrazine 0.333 – CNS stimulant, anorectic drug

Picrotoxinin 0.246 – active component of picrotoxin

Pipradol 0.466 * mild CNS stimulant

Prolintane (R/S) 0.352 / 0.254 * psychostimulant, nootropic drug

Stanozolol 0.678 ** ERβ anabolic steroid

Synephrine (R/S) 0.303 / 0.238 * stimulant

Testosterone 0.642 ** AR steroid hormone

Tetrahydrogestrinone (THG, "The Clear") 0.681 ** AR anabolic steroid

Trenbolone 0.613 ** AR synthetic steroid hormone: affects reproduction

⁶ Cf. http://ncaa.org/health-safety; other banned compounds are listed in classes 1, 4, 6–8, 12 and 14.

Last update of this page: July 28, 2010

Compound	Weighted toxic potential	wTP class¹	Main target²	Comments
Anthracene	0.468	*		PAH: very toxic to aquatic organisms
Benzo[a]anthracene	0.656	**	AhR	PAH: polyaromatic hydrocarbon
Benzo[a]pyrene	0.690	**	AhR	PAH: genotoxic, cancerogenic
Benzil	0.220	–		photoinitiator: skin, eye and respiratory irritant
3-Benzylidene camphor (1R,4S/1S,4R)	0.293 / 0.395	*		UV absorber: endocrine disruptor
4,4'-Bis(dimethylamino)benzil	0.176	–
Bis(4-hydroxyphenyl)methane	0.485	*
2,3-Bis(4-methoxyphenyl)-2-butene	0.741	***	ERα
2,3-Bis(4-methoxyphenyl)-1,3-dimethylene-ethane	0.498	**
Bisphenol-A	0.540	**	ERβ	polymer additive: acute toxic in rats
Bisphenol-B	0.409	*		polymer additive: estrogenic activity
2,3-Bisphenyl-2-butene	0.283	*	–
Chalcone	0.443	*		antibacterial, antifungal, anti-inflammatory
Chrysene	0.649	**	AhR	PAH: tumorigenic in animals
Cocaine	0.459	*		stimulant: induces teratogenesis; genotoxic to cells
Coumestrol	0.668	**	ERβ	phytochemical
p-Cumate	0.108	–
Cumin alcohol	0.230	–
p-Cymene	0.149	–
DDT	0.418	*		synthetic pesticide: banned in most developed countries
Doxycycline	0.424	*		antibiotic: skin photosensitivity
Dibenzo[ah]anthracene	0.835	****	AhR	PAH: cancerogenic
4,4'-Dimethoxybenzil	0.475	*
4,4'-Dimethylbenzil	0.225	–
2,3-Diphenylbutane-2,3-diol (RR/SS)	0.137 / 0.158	–
2,3-Di-p-tolylbutane-2,3-diol (RR/SS)	0.225 / 0.174	–
17β-Estradiol	0.716	***	ERβ	female sex hormone
Ethanol	0.018	–		alcoholic beverages
Gestrinone	0.655	**	AR	synthetic steroid hormone
3,4,5,3',4',5'-Hexabromodiphenylether	0.510	**	AhR	flame retardant
1,2,3,4,7,8-Hexachlorodibenzofuran	0.772	***	AhR	environmental pollutant: teratogenic, mutagenic
Homosalate	0.309	*		UV absorber
2-Hydroxy-4-methoxybenzophenone	0.242	–		UV absorber: no reproductive toxicity in mice
Kaempferol	0.473	*		flavonoid
4-Methylbenzylidene camphor (1R,4S/1S,4R)	0.456 / 0.329	*		UV absorber: endocrine disruptor
3-Methylcholanthrene	0.750	***	AhR	PAH: carcinogenic in mice
Methyltrienolone	0.644	**	AR	anabolic steroid
Nicotine	0.317	*		tobacco alkaloid
Ochratoxin A	0.335	*		mycotoxin: carcinogen in rats and mice
Octocrylene (R/S)	0.367 / 0.378	*		UV absorber: evidence for malignant melanoma
Octyl-dimethyl-p-aminobenzoic acid (R/S)	0.184 / 0.172	–		UV absorber: no estrogenic activity in zebra fish
Octyl-methoxycinnamate (R/S)	0.210 / 0.262	–		UV absorber: estrogenic effects in laboratory animals
1,2,3,7,8-Pentachlorodibenzofuran	0.671	**	AhR	environmental pollutant: teratogenic, mutagenic
2,3,4,7,8-Pentachlorodibenzofuran	0.745	***	AhR	environmental pollutant: teratogenic, mutagenic
Perylene	0.629	**	AhR	PAH: hazardous pollutant, cancerogenic
Pyrene	0.480	*		PAH: toxic to aquatic organisms
Quercetin	0.435	*		flavonoid (flavonol)
2,2',6,6'-Tetrabromobisphenol-A	0.461	*		flame retardant
2,3,7,8-Tetrachlorodibenzo-p-dioxin	0.680	**	AhR	TCDD: carcinogen, chloracne
2,3,7,8-Tetrachlorodibenzofuran	0.697	**	AhR	environmental pollutant: teratogenic, mutagenic
Tetracycline	0.573	**	GR	antibiotic: skin photosensitivity
2,2',4,4'-Tetrahydroxybenzophenone	0.351	*		UV absorber: estrogenic activity in human cells
2-Trifluormethyl-3,7,8-trichlorodibenzo-p-dioxin	0.813	****	AhR	TCDD derivative: carcinogen

Compound	Weighted toxic potential	wTP class	main Target	Comments
Acesulfame	0.294	–		calorie-free artificial sweetener
Allylhexanoate	0.062	–		flavorant: no adverse effects in rats
Amaranth	0.377	*		food dye: no serious toxic responses known
Benzaldehyde	0.134	–		flavorant; CNS disturbance in rats
Cyclamate	0.216	–		artificial sweetener: no clear evidence for toxicity
Dulcin	0.497	*		artificial sweetener: carcinogenic properties
E100	0.415	*		food dye: unclear toxicity
E102	0.080	–		food dye: hyperactivity in children
E104	0.504	**	AhR	food yellow 13: banned in the US and Japan
E105	0.260	–		food dye: forbidden in US and Europe
E110	0.188	–		food yellow 6: hyperactivity in children
E121 (Citrus Red 2)	0.310	*		food dye (orange skin only): carcinogen
E122 (Azorubine)	0.382	*		food dye: forbidden in US and Europe
E125 (Scarlet GN)	0.395	*		food dye (fruit peels and maraschino cherries only)
E129	0.113	–		food dye: developmental toxicity in rats
E180	0.186	*		food dye: banned in several countries
Erythrosine	0.198	–		fluorone food dye: adverse effects in mice
Ethoxyquin	0.345	*		antioxidant (used in spices to prevent color loss)
Ethylmaltol	0.183	–		flavorant: no toxic effects in humans at low dosage
Ethylpropionate	0.014	–		flavorant: eye, skin and respiratory tract irritation
Heptyl-p-hydroxybenzoate	0.484	*		food additive: weak estrogen binder
Hexamine (E239)	0.157	–		preservative (cheese)
Isoamylacetate	0.037	–		flavorant; low toxicity
Limonene	0.097	–		flavorant: skin irritant; no carcinogenicity/genotoxicity
Maltitol	0.526	**	ERβ	sugar substitute: weak genotoxic potential
Methylparabene	0.493	*		preservative for food, drugs, cosmetics: antifungal
Methylsalicylate	0.091	–		flavorant: may cause fetal deformations
Perillartine	0.304	*		artificial sweetener
Propylgallate	0.084	–		antioxidant: growth retardation: no cancerogenicity
Sorbitol	0.289	–		flavorant: no harmful effects in man
Sucralose	0.312	*		artificial sweetener
Xylitol	0.436	*		sugar substitute: no known toxicity