VirtualToxLab™ 4.2
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, some aspects of carcinogenicity and cardiotoxicity) 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 is calculated through a non-linear function, ranges from 0.0 (none) to 1.0 (extreme) and may be interpreted as a toxicity alert. A wTP of 0.0 indicates that the compound is unlikely to bind to any of the 16 target proteins. This may be due to its size (e.g. MW > 500) or inability to appropriately stabilize its hydrogen-bond functionalities and/or hydrophobic portions. Compounds associated with a wTP > 0.7 may trigger severe side effects or tocixity if they are bioavailable and metabolically stable.

Binding of 8-Trifluoromethyl-2,3,7-trichlorodibenzo-p-dioxin to the Aryl hydrocarbon receptor. Calculated binding affinity = 7.5 nM (experiment: 3.2 nM). Click on image to enlarge it.

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

1. Environmental chemicals
2. Food additives and colorants
3. Antibiotics
4. Psychotropic drugs
5. Blockbusters
6. Withdrawn drugs
7. Designer drugs
8. Various drugs
9. Vitamins
10. Natural compounds
11. Cosmetic chemicals
12. Various chemicals
13. Pesticides
14. Miscellaneous compounds
15. Doping: banned compounds

Total number of listed compounds = 2,530


1. Environmental Chemicals

Compound Weighted toxic potential wTP class1 Main target2 Comments
Anthracene 0.399 *   PAH: very toxic to aquatic organisms
Benzo[a]anthracene 0.506 ** AhR PAH: polyaromatic hydrocarbon
Benzo[a]pyrene 0.597 ** AhR PAH: genotoxic, cancerogenic
Benzil 0.268   photoinitiator: skin, eye and respiratory irritant
3-Benzylidene camphor (1R,4S/1S,4R) 0.438 / 0.316 *   UV absorber: endocrine disruptor
4,4'-Bis(dimethylamino)benzil 0.142    
2,3-Bis(4-methoxyphenyl)-2-butene 0.630 ** ERβ  
2,3-Bis(4-methoxyphenyl)-1,3-dimethylene-ethane 0.571 ** AR  
Bisphenol-A 0.463 *   polymer additive: acute toxic in rats
Bisphenol-B 0.456 *   polymer additive: estrogenic activity
2,3-Bisphenyl-2-butene 0.371 *  
Chalcone 0.350 *   antibacterial, antifungal, anti-inflammatory
Chrysene 0.509 ** AhR PAH: tumorigenic in animals
Cocaine 0.359 *   stimulant: induces teratogenesis; genotoxic to cells
Coumestrol 0.564 ** ERβ phytochemical
p-Cumate 0.193    
Cumin alcohol 0.323 *    
p-Cymene 0.195    
DDT 0.458 *   synthetic pesticide: banned in most developed countries
Doxycycline 0.070   antibiotic: skin photosensitivity
Dibenzo[ah]anthracene 0.729 *** AhR PAH: cancerogenic
4,4'-Dimethoxybenzil 0.432 *    
4,4'-Dimethylbenzil 0.100    
2,3-Diphenylbutane-2,3-diol (RR/SS) 0.178 / 0.156    
2,3-Di-p-tolylbutane-2,3-diol (RR/SS) 0.159 / 0.143    
17β-Estradiol 0.751 *** ERβ female sex hormone
Ethanol 0.037   alcoholic beverages
Gestrinone 0.720 *** AR synthetic steroid hormone
3,4,5,3',4',5'-Hexabromodiphenylether 0.521 ** PR flame retardant
1,2,3,4,7,8-Hexachlorodibenzofuran 0.610 ** AhR environmental pollutant: teratogenic, mutagenic
Homosalate 0.361 *   UV absorber
2-Hydroxy-4-methoxybenzophenone 0.333 *   UV absorber: no reproductive toxicity in mice
Kaempferol 0.456 *   flavonoid
4-Methylbenzylidene camphor (1R,4S/1S,4R) 0.236 / 0.201   UV absorber: endocrine disruptor
3-Methylcholanthrene 0.603 ** AhR PAH: carcinogenic in mice
Methyltrienolone 0.656 ** AR anabolic steroid
Nicotine 0.164   tobacco alkaloid
Ochratoxin A 0.340 *   mycotoxin: carcinogen in rats and mice
Octocrylene (R/S) 0.327 / 0.387 *   UV absorber: evidence for malignant melanoma
Octyl-dimethyl-p-aminobenzoic acid (R/S) 0.177 / 0.164   UV absorber: no estrogenic activity in zebra fish
Octyl-methoxycinnamate (R/S) 0.340 / 0.399 *   UV absorber: estrogenic effects in laboratory animals
1,2,3,7,8-Pentachlorodibenzofuran 0.552 ** AhR environmental pollutant: teratogenic, mutagenic
2,3,4,7,8-Pentachlorodibenzofuran 0.554 ** AhR environmental pollutant: teratogenic, mutagenic
Perylene 0.532 ** AhR PAH: hazardous pollutant, cancerogenic
Pyrene 0.388 *   PAH: toxic to aquatic organisms
Quercetin 0.497 *   flavonoid (flavonol)
2,2',6,6'-Tetrabromobisphenol-A 0.387 *   flame retardant
2,3,7,8-Tetrachlorodibenzo-p-dioxin 0.555 ** AhR TCDD: carcinogen, chloracne
2,3,7,8-Tetrachlorodibenzofuran 0.491 *   environmental pollutant: teratogenic, mutagenic
Tetracycline 0.000   antibiotic: skin photosensitivity
2,2',4,4'-Tetrahydroxybenzophenone 0.307 *   UV absorber: estrogenic activity in human cells
8-Trifluormethyl-2,3,7-trichlorodibenzo-p-dioxin 0.663 ** 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 0.143   calorie-free artificial sweetener
Alitame 0.254   peptidic artificial sweetener
Allylhexanoate 0.018   flavorant: no adverse effects in rats
Amaranth 0.000   food dye: no serious toxic responses known
Benzaldehyde 0.386 *   flavorant; CNS disturbance in rats
Cyclamate 0.100   artificial sweetener: no clear evidence for toxicity
Dulcin 0.160   artificial sweetener: carcinogenic properties
E100 0.229   food dye: unclear toxicity
E102 0.194   food dye: hyperactivity in children
E104 0.146   food yellow 13: banned in the US and Japan
E105 0.008   food dye: forbidden in US and Europe
E110 0.029   food yellow 6: hyperactivity in children
E121 (Citrus Red 2) 0.552 ** AhR food dye (orange skin only): carcinogen
E122 (Azorubine) 0.011   food dye: forbidden in US and Europe
E125 (Scarlet GN) 0.286   food dye (fruit peels and maraschino cherries only)
E129 0.215   food dye: developmental toxicity in rats
E180 0.265   food dye: banned in several countries
Erythrosine 0.278   fluorone food dye: adverse effects in mice
Ethoxyquin 0.185   antioxidant (used in spices to prevent color loss)
Ethylmaltol 0.265   flavorant: no toxic effects in humans at low dosage
Ethylpropionate 0.000   flavorant: eye, skin and respiratory tract irritation
Heptyl-p-hydroxybenzoate 0.383 *   food additive: weak estrogen binder
Hexamine (E239) 0.069   preservative (cheese)
Isoamylacetate 0.068   flavorant; low toxicity
Limonene 0.137   flavorant: skin irritant; no carcinogenicity/genotoxicity
Maltitol 0.106   sugar substitute: weak genotoxic potential
Methylparabene 0.187   preservative for food, drugs, cosmetics: antifungal
Methylsalicylate 0.299   flavorant: may cause fetal deformations
Perillartine 0.283   artificial sweetener
Propylgallate 0.404 *   antioxidant: growth retardation: no cancerogenicity
Sorbitol 0.136 *   flavorant: no harmful effects in man
Sucralose 0.320 *   artificial sweetener
Xylitol 0.269   sugar substitute: no known toxicity


3. Antibiotics

Compound Weighted toxic potential wTP class Main target Comments
Amoxicillin 0.265   β-lactam antibiotic
Ampicillin 0.203   β-lactam antibiotic
Benzylpenicillin 0.337 *   gold-standard penicillin: toxic effects (CNS) at high dosage
Carbenicillin (R/S) 0.279 / 0.315 *   bactericidal, bacteriolytic
Carfecillin (R/S) 0.291 / 0.541 ** TRα β-lactam antibiotic
Carumonam 0.213   monobactam antibiotic
Cefacetrile 0.043   first-generation cephalosporin antibiotic
Cefaclor 0.353 *   cephalosporin antibiotic
Cefadroxil 0.127   broad-spectrum antibiotic
Cefalexin 0.179   first-generation cephalosporin antibiotic
Cefaloglycin 0.079   first-generation cephalosporin antibiotic
Cefalotin 0.222   first-generation cephalosporin antibiotic
Cefamandole 0.308 *   broad-spectrum cephalosporin antibiotic
Cefapirin 0.260   first-generation cephalosporin antibiotic
Cefatrizine 0.000   broad-spectrum cephalosporin antibiotic
Cefazaflur 0.113   first-generation cephalosporin antibiotic
Cefazedone 0.143   cephalosporin antibiotic
Cefazolin 0.153   first-generation cephalosporin antibiotic
Cefcapene 0.123   third-generation cephalosporin antibiotic
Cefotaxime 0.000   third-generation cephalosporin antibiotic
Cefprozil 0.101   cephalosporin antibiotic
Ceftizoxime 0.499 *   third-generation cephalosporin antibiotic
Chloramphenicol 0.063   bacteriostatic antimicrobal
Chlortetracycline 0.000   tetracycline antibiotic
Ciclacillin 0.193   aminopenicillin antibiotic
Cinoxacin 0.448 *   quinolone antibiotic
Ciprofloxacin 0.330 *   bacteriocidal: CYP450 inhibitor; not carcinogenic in mice
Clinafloxacin (R/S) 0.185 / 0.247   quinoline antibiotic
Clofoctol 0.643 ** AhR bacteriostatic antibiotic
Clometocillin (R/S) 0.458 / 0.473 *   penicillin antibiotic
Enoxacin 0.012   broad-spectrum antibiotic
Enrofloxacin 0.103   fluoroquinolone antibiotic
Ethionamide 0.032   tubercolosis antibiotic
Faropenem 0.410 *   β-lactam antibiotic
Flucloxacillin 0.299   narrow-spectrum β-lactam antibiotic
Flumequine (R/S) 0.269 / 0.484 *   first-generation antibiotic used in veterinary medicine
Furazolidone 0.097   diarrhea/enteritis antibiotic
Garenoxacin 0.195   quinolone antibiotic
Gatifloxacin 0.435 *   fourth-generation fluroroquinolone antibiotic
Gemifloxacin (R/S) 0.382 / 0.159 *   quinolone antibacterial agent
Grepafloxacin 0.126   quinoline antibacterial agent
Ibafloxacin 0.452 *   quinoline antibiotic
Imipenem 0.189   β-lactam antibiotic: causes nausea and vomiting
Isoniazid 0.071   tubercolosis antibiotic
Kanamycin 0.000   aminoglycoside antibiotic
Levamisole 0.125 *   antihelminthic
Linezolid 0.255   antibacterial (multi-resistant)
Lomefloxacin 0.169   fluoroquinone antibiotic
Loracarbef (αL/βL/αD/βD) 0.246 / 0.321 / 0.095 / 0.329 *   carbacephem antibiotic: nephrotoxic
Mafenide 0.008   sulfonamide
Marbofloxacin 0.280   fluoroquinone antibiotic
Mecillinam 0.161   penicillin antibiotic
Meclocycline 0.000   tetracycline antibiotic
Metampicillin (R/S) 0.218 / 0.215   penicillin antibiotic
Meticillin 0.374 *   narrow-spectrum β-lactam antibiotic
Metronidazole 0.041   anti-anaerobic bacterial
Mezlocillin 0.317 *   broad-spectrum penicillin antibiotic
Minocycline 0.000   tetracycline antibiotic
Moxifloxacin 0.173   fluoroquinolone antibiotic
Nadifloxacin (R/S) 0.416 / 0.409 *   fluoroquinolone antibiotic
Nafcillin 0.424 *   narrow-spectrum β-lactam antibiotic
Nitrofurantoin 0.408 *   antibacterial
Nitrofurazone 0.332 *   antibacterial for urinary-tract infections
Norfloxacin 0.138   antibacterial: not mutagenic and carcinogenic in animals
Orbifloxacin 0.162   fluoroquinolone antibiotic
Ofloxacin (R/S) 0.239 / 0.328 *   against gonorrhea: various side effects
Oxacillin 0.209   narrow-specturm β-lactam antibiotic
Oxytetracycline 0.310 *   broad-spectrum tetracycline antibiotic
Pazufloxacin 0.425 *   quinolone antibiotic
Phenoxymethylpenicillin 0.292   orally active form of penicillin
Prontosil 0.359 *   antibacterial: no toxic effects known
Pyrazinamide 0.208   against tuberculosis: hepatoxicity
Pyrimethamine 0.188   treatment of protozoal infections (malaria)
Rufloxacin 0.268   quinolone antibiotic
Sarafloxacin 0.123   quinoline antibiotic
Sitafloxacin 0.237   fluoroquinoline antibiotic
Sparfloxacin 0.187   fluoroquinolone antibiotic
Sulbactam 0.381 *   β-lactam antibiotic
Sulbenicillin (R/S) 0.105 / 0.180   penicillin antibiotic
Sulfacetamide 0.264   anti-inflammatory: thyroid malignancies in rats
Sulfamethoxazole 0.110   bacteriostatic antibiotic
Sulfanilamide 0.121   first discovered sulfonamide antibiotic
Talampicillin (R/S) 0.357 / 0.139 *   β-lactam antibiotic
Ticarcillin 0.306 *   β-lactam antibiotic
Tinidazole 0.000   against protozoan infections: various side effects
Tosufloxacin (R/S) 0.423 / 0.413 *   fluoroquinolone antibiotic
Trimethoprim 0.215   bacteriostatic
Xibornol 0.530 ** GR antibacterial


4. Psychotropic Drugs

Compound Weighted toxic potential wTP class Main target Comments
Alprazolam 0.143   treatment of anxiety disorders, panic attacks
Amitriptyline 0.144   antidepressant
Bupropion (R/S) 0.000 / 0.095   atypical antidepressant
Buspirone 0.068   anxiolytic agent
Clomipramine 0.171   antidepressant: various side effects
Desipramine 0.306 *   antidepressant: genotoxic
Doxepin 0.308 *   psychotropic agent: various side effects
Duloxetine 0.337 *   treatment of major depressive disorders
Escitalopram 0.338 *   treatment of depression and anxiety
Flunitrazepam 0.503 ** GR hypnotic drug; sedative, anxiolytic, amnestic: some side effects
Fluoxetine (R/S) 0.259 / 0.262   antidepressant: various side effects
Imipramine 0.172   antidepressant: various side effects
Lorazepam (R/S) 0.387 / 0.275 *   anxiolytic, sedative/hypnotic, anticonvulsant: various side effects
Methylphenidate (R/S) 0.203 / 0.071   stimulant; ADHD: various side effects
Mirtazapine 0.261   treatment of depression
Moclobemide 0.239   treatment of depression, social anxiety
Modafinil 0.142   psychostimulant: various side effects, some severe
Nikethamide 0.156   psychostimulans
Nortriptyline 0.181   antidepressant
Paroxetine 0.380 *   antidepressant
Reboxetine 0.324 *   antidepressant
Sertraline 0.227   antidepressant
Trazodone 0.309 *   sedative, anxiolytic, antidepressant
Trimipramine (R/S) 0.350 / 0.298 *   antidepressant: various side effects
Venlafaxine (R/S) 0.232 / 0.141   antidepressant


5. Blockbusters

Compound Weighted toxic potential wTP class Main target Comments
Amlodipine (R/S) 0.130 / 0.223   calcium-channel blocker: various side effects; not carcinogenic
Anastrozole 0.171   treatment of breast cancer
Aripiprazole 0.293   treatment of schizophrenia
Atorvastatin 0.206   statin; cholesterol reducer: various side effects; not teratogenic
Bicalutamide 0.382 *   antiandrogen; treatment of prostate cancer
Budesonide 0.605 ** GR treatment of asthma and nasal polyposis
Candesartan 0.400 *   treatment of hypertension
Carvedilol (R/S) 0.340 / 0.349 *   non-selective beta blocker
Celecoxib 0.365 *   NSAID (traetment of osteoarthritis)
Cetirizine (R/S) 0.644 / 0.588 ** TRα antihistamine
Clopidogrel (R/S) 0.322 / 0.182 *   anti-platelet agent: various side effects; not teratogenic
Donepezil (R/S) 0.393 / 0.415 *   reversible ACE inhibitor
Esomeprazole 0.304 *   proton-pump inhibitor: not toxic in rats (within therapeutic ranges)
Ezetimibe 0.419 *   anti-hyperlipidemic drug
Fenofibrate 0.544 ** AhR cholesterol reducer
Fluticasone 0.377 *   corticosteroid: low potential for systemic toxicity
Gemcitabine 0.221   chemotherapeutic drug
Irbesartan 0.283   treatment of hypertension
Lansoprazole 0.289   proton-pump inhibitor: various side effects; carcinogenic in mice/rats
Levofloxacin 0.221   fluoroquinolone antibiotic
Memantine 0.191   Alzheimer's disease medication
Metoprolol (R/S) 0.143 / 0.203   treatment of hypertension
Montelukast 0.350 *   leukotriene receptor antagonist: some side effects; not toxic
Olanzapine 0.411 *   antipsychotic: various side effects; evidence for teratogenicity
Omeprazole 0.336 *   proton-pump inhibitor
Pantoprazole 0.338 *   proton-pump inibitor: sporadic occurence of adenomas/carcinomas
Pioglitazone 0.668 ** PPARγ antihyperglycemic, antidiabetic drug
Pregabalin 0.278   anticonvulsant drug
Quetiapine 0.285   neuroleptic: various side effects
Rabeprazole 0.307 *   proton-pump inibitor
Raloxifene 0.281   prevention of osteoporosis
Risperidone 0.264   antipsychotic: mammary gland adenocarcinomas; not mutagenic
Rosuvastatin 0.309 *   treatment of hypercholesterolemia
Salmeterol 0.241   β2-adrenergic receptor agonist: various side effects; not teratogenic
Simvastatin 0.564 ** ERβ hypolipidemic drug
Tamsulosin 0.294   treatment of benign prostatic hyperplasia
Telmisartan 0.563 ** PPARγ treatment of hypertension
Tolterodine (R/S) 0.286 / 0.366 *   antimuscarinic drug
Topiramate 0.432 *   anticonvulsant drug
Valaciclovir 0.277   antiviral drug


6. Withdrawn Drugs3

Compound Weighted toxic potential wTP class Main target Comments
Alosetron 0.259   5HT3 antagonist
Alpidem 0.224   anxiolytic drug
Amineptine 0.092   antidepressant
Benfluorex (R/S) 0.347 / 0.289 *   anorectic, hypolipidemic agent
Benziodarone 0.295   vasodilator
Buformin 0.070   antidiabetic drug: induces lactic acidosis
Cerivastatin (3R,5S) 0.344 *   statin; cholesterol reducer
Cisapride 0.157   5HT4 agonist
Danazol 0.698 ** AR synthetic steroid: increased risk for liver tumors
Diethylstilbestrol 0.840 **** ERα non-steroidal estrogen: teratogenic
Fenfluramine 0.226   anti-obesity drug: pulmonary hypertension
Hydromorphone 0.105   analgesic
Levacetylmethadol 0.018   treatment of opioid addiction
LSD 0.354 *   semi-synthetic psychedelic drug: low toxicity
Lumiracoxib 0.232   NSAID (COX-2)
Methaqualone 0.253   sedative: several side effects (some severe)
Mibefradil 0.158   treatment of hypertension, angina pectoris
Nimesulide 0.163   NSAID
Nomifensine (R/S) 0.398 / 0.358 *   norepinephrine-dopamine reuptake inhibitor
Pemoline (R/S) 0.239 / 0.355 *   ADHD, narcolepsy
Phenformin 0.258   antidiabetic drug: induces lactic acidosis
Phenylpropanolamine (1R,2S) 0.166   decongestant
Repaglinide 0.561 ** 2C9 treatment of type II diabetes
Rofecoxib 0.372 *   non-steroidal anti-inflammatory drug: increased risk of heart attack
Tegaserod 0.319 *   treatment of IBS and constipation
Temafloxacin 0.274   fluoroquinolone antibiotic
Temazepam (R/S) 0.438 / 0.499 *   3-hydroxy benzodiazepine: several side effects (some severe)
Terfenadine (R/S) 0.053 / 0.000   antihistamine: cardiotoxic
Thalidomide (R/S) 0.162 / 0.501 ** ERα sedative hypnotic: teratogenic
Tienilic acid 0.421 *   uric acid lowering: hepatotoxic
Tolrestat 0.276   aldose reductase inhibitor
Triazolam 0.189   sedative: serious side effects
Troglitazone (R/S) 0.428 / 0.424 *   anti-diabetic, anti-inflammatory: hepatotoxic
Trovafloxacin 0.091   antibiotic
Ximelagatran 0.449 *   anticoagulant
Zimelidine 0.406 *   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 0.129   psychedelic: several side effects
2C-C 0.112   psychedelic
2C-E 0.175   psychedelic: restricted used in several countries
2C-I 0.137   recreational drug, entheogenic: illegal in the EU
2C-T-2 0.210   psychedelic, entheogenic
2C-T-21 0.301 *   psychedelic
2C-T-7 0.267   hallucinogenic: many side effects; can be lethal
4-Acetoxy-DIPT 0.125   hallucinogenic
Allylescaline 0.322 *   psychedelic drug
Benzylpiperazine 0.171   recreational drug: various side effects; renal toxicity
BOH (R/S) 0.312 / 0.252 *   psychoactive drug (entactogen, psychedelic)
1-(3-Chlorophenyl)piperazine 0.246   5-HT receptor agonist: some side effects
Cyclopropylmescaline 0.150   psychedelic drug
Desmethylprodine 0.084   opioid analgesic, recreational drug
Diisopropyltryptamine 0.108   psychedelic, hallucinogenic: some side effects
2,5-Dimethoxy-4-bromoamphetamine 0.211   psychedelic, hallucinogenic
Dipropyltryptamine 0.286   psychedelic
α-Ethyltryptamine (R/S) 0.212 / 0.188   psychoactive drug: withdrawn
5-MeO-AMT (R/S) 0.341 / 0.134 *   psychedelic: various side effects; can be fatal; illegal in the US
5-MeO-DMT 0.165   psychedelic: various side effects; restricted used in several countries
Methylbenzylpiperazine 0.191   stimulant drug
3,4-Methylenedioxyethylamphetamin (R/S) 0.330 / 0.319 *   MDEA: psychedelic, stimulant
3,4-Methylenedioxy-N-methylamphetamin (R/S) 0.231 / 0.184   MDMA: psychedelic, stimulant
3,4-Methylenedioxymethamphetamin (R/S) 0.202 / 0.188   Ecstasy: psychedelic, ampathogenic: possibly neurotoxic
3-Methylfentanyl 0.045   opioid analgesic: several side effects; has caused many deaths
α-Methylfentanyl (R/S) 0.044 / 0.118   opioid analgesic: several (including severe) side effects
α-Methyltryptamine (R/S) 0.332 / 0.165 *   antidepressant
5-Methoxy-diisopropyltryptamin 0.386 *   psychedelic: endocrine disruptor; illegal in many countries
Parafluorofentanyl 0.157   opioid analgesic: various side effects (some life-threatening)
α-Pyrrolidinopropiophenone (R/S) 0.065 / 0.071   stimulant drug
Tenocyclidine 0.091   dissociative anesthetic drug
Trifluoromethylphenylpiperazin 0.248   recreational drug: various side effects


8. Various Drugs

Compound Weighted toxic potential wTP class Main target Comments
Abafungin 0.230   antifungal drug
Abanoquil 0.477 *   α1-adrenergic antagonist
Abecarnil 0.385 *   anxiolytic drug
Abiraterone 0.676 ** MR under investigation for prostate cancer treatment
Abunidazole (R/S) 0.210 / 0.156   antifungal drug
Acaprazine 0.248   nootropic drug
Acemetacin 0.587 ** TRβ treatment of arthritis: moderate toxicity, not teratogenic
Acenocoumarol (R/S) 0.162 / 0.216   anticoagulant
Acepromazine 0.267   sedative, antiemetic drug
Aceprometazine (R/S) 0.132 / 0.338 *   neuroleptic, antihistamine
Acetazolamide 0.185   carbonic anhydrase inhibitor: not toxic
Acetohexamide 0.168   treatment of diabetes mellitus type 2
Acetophenazine 0.267   antipsychotic
Aciclovir 0.264   analgesic
Adafenoxate 0.269   nootropic in rats
Adapalene 0.417 *   treatment of acne and pilaris keratosis
Afimoxifene 0.465 *   selective estrogen-receptor modulator
Agomelatine 0.373 *   antidepressant
Alaproclate (R/S) 0.293 / 0.296   antidepressant
Albendazole 0.399 *   treatment of worm infestations
Alclofenac 0.191   NSAID
Alclometasone 0.584 ** GR anti-inflammatory, antipruritic, antiallergic, vasoconstrictive agent
Aldesulfone 0.187   treatment of leprosy
Alfadolone 0.640 ** MR neuroactive steroid with hypnotic effects
Alfaxalone 0.373   general anesthetic
Alfetamine (R/S) 0.137 / 0.192   antidepressant (not marketed)
Alfentanil 0.079   analgesic drug (used as anesthesia in surgery)
Alfuzosin 0.410 *   treatment of benign prostatic hyperplasia
Alimemazine (R/S) 0.000 / 0.000   antipruritic drug
Alizapride 0.127   antiemetic drug
Allantoin (R/S) 0.102 / 0.157   keratolytic agent: non-toxic
Allobarbital 0.371 *   anticonvulsant
Allopurinol 0.010   treatment of hyperuricemia
Alminoprofen (R/S) 0.143 / 0.146   NSAID
Almotriptan 0.006   treatment of migraine headaches
Amantadine 0.035   antiviral and antiparkinsonian drug
Amcinonide 0.660 ** GR corticosteroid
Amiloride 0.172   potassium-sparing diuretic
Aminorex (R/S) 0.021 / 0.042   anorectic stimulant drug
Amiodarone 0.276   antiarrhythmic agent
Amitraz 0.157   antiparasitic drug
Amlexanox 0.522 ** TRα antiallergic, anti-inflammatory
Amodiaquine 0.063   antimalarial and anti-inflammatory drug
Amoxapine 0.263   antidepressant drug
Amsacrine 0.268   antineoplastic agent
Anagrelide 0.479 *   treatment of chronic myeloid leukemia
Anecortave 0.414 *   angiogenesis inhibitor
Aniracetam 0.314 *   nootropic, more potent than piracetam: some side effects
Anisindione 0.176   anticoagulant
Antazolin 0.301 *   antihistamine drug
Apomorphine 0.483 *   dopaminergic agonist (D1/D2)
Apraclonidine 0.042   treatment of glaucoma
Aprinidine 0.289   antiarrhythmic agent
Asenapine 0.184   treatment of schizophrenia
Aspirin 0.233   antipyretic drug
Astemizole 0.208   antihistamine drug
Atovaquone 0.059   treatment of PCP, toxoplasmosis and malaria
Azatadine 0.386 *   antihistamine
Azathioprine 0.106   immunosuppressant
Baclofen (R/S) 0.492 / 0.281 *   spasticity treatment
Balsalazide 0.227   treatment of inflammatory bowel disease
Bamipine 0.223   antipruritic drug
Barbital 0.234   first commercially marketed barbiturate
Bendazac 0.321 *   NSAID
Bendroflumethiazide (R/S) 0.292 / 0.079   treatment of hypertension
Bentiromide (R/S) 0.478 / 0.293 *   treatment of chronic pancreatis: withdrawn in the USA and Canada
Benzatropine (cis/trans) 0.356 / 0.158 *   treatment of drug-induced parkinsonims, akathisia and acute dystonia
Benzbromarone 0.285   uricosuric agent, treatment of gout
Benzocaine 0.156   local anesthetic
Benzoctamine 0.200   sedative, anxiolytic
Benzydamine 0.249   NSAID
Bepridil (R/S) 0.016 / 0.000   treatment of angina
Betahistine 0.178   treatment of balance disorders
Betamethasone 0.523 ** GR anti-inflammatory, immunosuppressive drug
Betamipron 0.274   prevention of (panipenem-caused) nephrotoxicity
Betanidine 0.295   sympatholytic drug
Betaxolol (R/S) 0.175 / 0.265   treatment of hypertension and glaucoma
Betazole 0.234   H2 receptor agonist
Bevantolol (R/S) 0.281 / 0.275   calcium-channel blocker
Bexarotene 0.583 ** TRα antienoplastic agent
Bezafibrate 0.379 *   treatment of hyperlipidemia
Bezitramide 0.223   analgesic drug
Bicifadine (RR/SS) 0.191 / 0.219   analgesic drug
Biclotymol 0.203   phenolic antiseptic
Bifonazole (R/S) 0.104 / 0.221   antifungal drug
Binospirone (R/S) 0.339 / 0.210   partial 5HT1A agonist; anxiolytic effects
Biperiden (R/S) 0.000 / 0.034   antiparkisonian agent
Biricodar 0.246   treatment of ovarian cancer
Bisacodyl 0.223   laxative drug
Bisoprolol (R/S) 0.154 / 0.053   treatment of cardiovascular diseases
Bisoxatin 0.552 ** ERα laxative drug
Bitolterol (R/S) 0.253 / 0.308 *   treatment of asthma and COPD
Blonanserin 0.381 *   antipsychotic drug
Bopindolol (R/S) 0.313 / 0.293 *   β-blocker; acts as prodrug for pindolol
Bornaprine (R/S) 0.269 / 0.369 *   anticholinergic drug
Bosentan 0.128   treatment of pulmonary artery hypertension
Bretazenil 0.101   anxiolytic drug
Brifentanil 0.148   opioid analgesic
Brimonidine 0.164   treatment of open-angle glaucoma or ocular hypertension
Brinzolamide (R/S) 0.034 / 0.059   treatment of glaucoma or ocular hypertension
Brivudine 0.241   antiviral drug
Brodimoprim 0.298   antibacterial drug
Brofaromine 0.243   treatment of depression and anxiety
Bromazepam 0.363 *   anxiolytic drug; at higher doses sedative and hypnotic
Bromazine (R/S) 0.079 / 0.309 *   antihistamine
Bromfenac 0.466 *   NSAID
Bromhexine 0.000   mucolytic agent
Bromopride 0.245   antiemetic drug
Bromperidol 0.114   treatment of schizophrenia
Brompheniramine (R/S) 0.174 / 0.233   antihistamine
Brotizolam 0.196   anxiolytic, anticonvulsant, sedative
Broxaterol (R/S) 0.204 / 0.038   β-adrenergic agonist
Broxyquinoline 0.038   anti-infective agent
Bucolome 0.084   analgesic, anti-inflammatory
Budipine 0.247   dopaminergic agent
Budralazine 0.073   vasodilator
Bufexamac 0.348 *   anti-inflammatory, analgesic
Buflomedil 0.106   vasoactive drug (treatment of claudication)
Bumadizone (R/S) 0.286 / 0.158   NSAID
Bumetanide 0.345 *   loop diuretic: high plasma levels are toxic to animals
Bunaftine 0.230   antiarrhythmic agent
Bunazosin 0.150   α1-antagonist
Buparvaquone 0.156   antiprotozoal drug
Bupivacaine 0.243   local anesthetic
Busulfan 0.231   chemotherapy drug
Butaclamol 0.210   antipsychotic
Butalamine 0.342 *   vasodilator
Butamirate (R/S) 0.221 / 0.026   cough suppressant
Butaxamine 0.108   β2-selective blocker
Butenafine 0.042   antifungal agent
Butoconazole (R/S) 0.524 / 0.540 ** ERβ antifungal agent
Butriptyline (R/S) 0.290 / 0.262   antidepressant
Cabergoline 0.165   dopamine-receptor agonist
Cadralazine (R/S) 0.090 / 0.145   treatment of hypertension
Cafedrine (RR/RS/SR/SS) 0.318 / 0.096 / 0.248 / 0.114 *   cardiac stimulant
Camazepam (R/S) 0.205 / 0.089   anxiolytic, anticonvulsant, sedative
Camostat 0.000   serine protease inhibitor
Canrenone 0.589 ** MR metabolite of spironolactone
Canrenonic acid 0.317   canrenone derivative
Captodiame (R/S) 0.349 / 0.087 *   anxiolytic drug
Captopril 0.140   treatment of hypertension
Carazolol (R/S) 0.364 / 0.243 *   anxiolytic, anticonvulsant, sedative
Carbamazepine 0.222   anticonvulsant
Carbazochrome (R/S) 0.249 / 0.193   antihemorrhagic agent
Carbenoxolone 0.000   treatment of inflammation
Carbidopa 0.052   treatment of Parkinson's disease
Carbimazole 0.003   treatment of hyperthroidism
Carbinoxamine (R/S) 0.000 / 0.148   antihistamine
Carboquone (R/S) 0.152 / 0.027   chemotherapeutic agent
Carbocromen 0.079   vasodilator
Carbutamide 0.230   anti-diabetic drug
Carbuterol (R/S) 0.081 / 0.232   β2-agonist
Carfentanyl 0.269   opioid analgesic
Carisoprodol (R/S) 0.129 / 0.165   muscle relaxant
Carmofur 0.216   antienoplastic agent
Caroverine 0.382 *   treatment of gastrointestinal disorders
Carperidine 0.231   opioid analgesic
Carprofen (R/S) 0.329 / 0.362 *   NSAID used by veterinarians
Carteolol (R/S) 0.251 / 0.287   treatment of glaucoma
Celiprolol (R/S) 0.184 / 0.000   antihypertensive
Centrophenoxine 0.241   nootropic (senile dementia, Alzheimer): some side effects
Cetiedil (R/S) 0.326 / 0.205 *   vasodilator
Cetraxate 0.142   cytoprotective agent
Cevimeline 0.056   parasympathomimetic
Chiniofon 0.060   antiprotozoal agent
Chlorambucil 0.364 *   chemotherapeutic drug
Chlorbenzoxamine (R/S) 0.286 / 0.280   treatment of gastrointestinal disorders
Chlorcyclizine (R/S) 0.231 / 0.232   antihistamine
Chlormadinone 0.361 *   proestrogen (added to contraceptives)
Chlormezanone (R/S) 0.126 / 0.347 *   anxiolytic
Chloropyramine 0.313 *   first-generation antihistamine
Chloroquine (R/S) 0.125 / 0.256   treatment and prevention of malaria
Chlorothen 0.280   antihistamine
Chlorothiazide 0.053   diuretic, antihypertensive
Chlorotrianisene 0.711 *** ERα synthetic estrogen
Chlorphenamine (R/S) 0.137 / 0.260   first-generation antihistamine
Chlorphenesin (R/S) 0.296 / 0.364 *   muscle relaxant
Chlorphenoxamine (R/S) 0.221 / 0.098   antipruritic
Chlorpromazine 0.358 *   treatment of schizophrenia
Chlorpropamide 0.268   treatment of type-2 diabetes
Chlorprothixene 0.312 *   antipsychotic drug
Chlorzoxazone 0.277   muscle relaxant
Ciclazindol (R/S) 0.248 / 0.342 *   antidepressant
Ciclesonide 0.412 *   treatment of obstructive airway diseases
Cicletanine (R/S) 0.131 / 0.227   low-ceiling diuretic drug
Ciclobendazole 0.300   antihelmintic drug
Ciclonicate 0.297   vasodilating agent
Ciclopirox 0.259   antifungal agent
Cilansetron 0.293   5HT3 antagonist
Cilnidipine 0.388 *   5HT3 antagonist
Cilostazol 0.461 *   treatment of intermittent claudication
Cimetidine 0.106   H2-receptor antagonist
Cimoxatone (R/S) 0.450 / 0.390 *   antidepressant
Cinacalcet 0.375 *   calcimimetic
Cinanserin 0.491 *   serotonin receptor antagonist
Cinchocaine 0.160   local anesthetic
Cinchophen 0.226   analgesic drug
Cinnarizine (cis/trans) 0.235 / 0.477 *   treatment of motion sickness
Cinolazepam (R/S) 0.207 / 0.150   anxiolytic, anticonvulsant, sedative
Cipemastat 0.270   anti-arthritis agent
Ciramadol 0.097   opioid analgesic
Cirazoline 0.154   α-adrenergic receptor agonist
Clamoxyquine 0.120   antiamoebic, antidhiarrheal drug
Clebopride 0.396 *   antiemetic drug
Clefamide 0.215   antiprotozoal agent
Clemastine 0.368 *   antihistamine
Clemizole 0.029   antihistamine
Clenbuterol (R/S) 0.220 / 0.184   bronchodilator, decongestant
Clentiazem (R/S) 0.196 / 0.276   calcium-channel blocker
Clevidipine 0.221   calcium-channel blocker
Climazolam 0.379 *   anesthetic in veterinary medicine
Clioquinol 0.060   antifungal and antiprotozoal drug
Clobazam 0.388 *   anxiolytic drug
Clobenzorex (R/S) 0.164 / 0.212   appetite suppressor (anorectic)
Clobetasol 0.506 ** GR treatment of eczema and psoriasis
Clobetasone 0.437 *   treatment of eczema
Clobutinol (RR/RS/SR/SS) 0.135 / 0.171 / 0.281 / 0.071   cough suppressant
Clocinizine (R/S) 0.443 / 0.385 *   antihistamine
Clodantoin (RR/RS/SR/SS) 0.138 / 0.017 / 0.111 / 0.114   drug used in gynecology
Clofazimine 0.494 *   treatment of leprosy
Clofedanol (R/S) 0.199 / 0.089   cough suppressant
Clofenciclan 0.022   stimulant drug
Clofibrate 0.062   lipid-lowering agent
Clomethiazole 0.012   sedative, hypnotic
Clomifene (E/Z) 0.419 / 0.437 *   selective estrogen receptor modulator
Clominorex (R/S) 0.199 / 0.280   appetite suppressant
Clonazepam 0.460 *   anticonvulsant, anxiolytic
Clonidine 0.210   antihypertensive
Clonitazene 0.343 *   opioid analgesic
Cloperastine (R/S) 0.241 / 0.167   cough suppressant
Clopenthixol (cis/trans) 0.342 / 0.293 *   antipsychotic drug
Clorazepate (R/S) 0.484 / 0.360 *   anxiolytic, anticonvulsant, sedative
Clorexolone 0.406 *   low-ceiling sulfonamide diuretic
Clorgiline 0.078   antidepressant
Cloricromen 0.304 *   platelet-aggregation inhibitor
Cloridarol (R/S) 0.208 / 0.235   vasodilator
Clorindione 0.185   vitamin K antagonist
Cloroqualone 0.400 *   sedative, antitussive
Clotrimazole 0.284   sedative, antitussive
Cloxazolam (R/S) 0.440 / 0.551 ** PR anxiolytic, anticonvulsant, sedative
Clozapine 0.205   antifungal medication
CNQX (6-cyano-7-nitroquinoxaline-2,3,-dione) 0.193   AMPA/kainate receptor antagonist
Coluracetam 0.243   treatment of ischemic retinopathy: little or no toxicity
Cortisol 0.437 *   steroid hormone: treatment of allergies and inflammation
Cortisone 0.629 ** ERα steroid hormone: suppression of the immune system
Cortivazol 0.257   glucocorticoid receptor agonist
Croconazole 0.548 ** PR antifungal agent
Cromoglicic acid 0.172   mast-cell stabilizer
Crotamiton 0.247   antipruritic
Cyclandelate (R/S) 0.438 / 0.170 *   vasodilator
Cyclazodone (R/S) 0.158 / 0.180   stimulant drug
Cyclizine 0.246   antihistamine
Cyclobenzaprine 0.145   antidepressant
Cyclofenil 0.347 *   estrogen receptor modulator
Cycloguanil 0.091   antimalarial drug
Cyclomethycaine 0.292   local anesthetic
Cyclopentolate (R/S) 0.012 / 0.210   mydriatic and cycloplegic agent
Cypenamine (1R,2S/1S,2R) 0.196 / 0.120   stimulant drug
Cyprazepam 0.185   benzodiazepin (not approved for sale in the US)
Cyproheptadine 0.406 *   antihistamine
Cyproterone 0.421 *   antiandrogen (treatment of precocious puberty)
Dacemazine 0.220   antispasmodic, antitussive
Dantrolene 0.612 ** ERα muscle relaxant
Dapiprazole 0.211   mydriasis-reversing agent
Dapoxetine 0.469 *   short-acting SSRI drug
Dapsone 0.134   treatment of leprae
Darifenacin 0.439 *   treatment of urinary incontinence
Darodipine 0.300   calcium channel blocker
Darunavir 0.145   treatment of HIV infection
Daunorubicin 0.166   treatment of acute myeloid and lymphocytic leukemia
Decoquinate 0.176   coccidiostatic agent
Deferasirox 0.346 *   treatment of thalassaemia major
Deferiprone 0.162   rationally-designed iron chelator
Dehydroepiandrosterone 0.593 ** ERβ cholesterol metabolite: liver tumor inducer
Delapril 0.223   ACE inhibitor
Delavirdine 0.179   reverse transcriptase inhibitor
Demecolcine 0.253   chemotherapeutic agent
Denopamine 0.227   treatment of angina
Deptropine 0.410 *   antihistamine with anticholinergic properties
Deracoxib 0.279   NSAID
Desloratadine 0.372 *   treatment of allergies
Desogestrel 0.578 ** PR used in hormonal contraceptives
Desomorphine 0.172   opiate analogue
Desonide 0.468 *   treatment of eczema and dermatitis
Desoximetasone 0.423 *   psychoactive drug
Desoxipipradrol 0.113   treatment of various skin conditions (rashes, itching, redness)
Detomidine 0.192   large-animal sedative primarily used in horses
Devapamil (R/S) 0.293 / 0.237   calcium channel blocker
Devazepide 0.213   treatment of dyspepsia, gastroparesis and gastric reflux
Dexamethasone 0.539 ** GR anti-inflammatory, immunosuppressant drug
Dexbrompheniramine 0.287   antihistamine
Dexfenfluramine 0.236   anorectic drug
Dexibuprofen 0.124   NSAID
Dexketoprofen 0.317 *   NSAID
Dexmedetomidine 0.122   sedative medication
Dexmethylphenidate 0.119   treatment of ADHD
Dexrazoxane 0.344 *   protection against cardiotoxic side effects of anthracyclines
Dextromoramide (R/S) 0.331 / 0.290 *   opioid analgesic
Dextromethorphan 0.192   antitussive drug
Dezocine 0.204   opioid analgesic
Diacerein 0.286   treatment of osteoarthritis
Diampromide (R/S) 0.328 / 0.000 *   opioid analgesic
Diazepam 0.365 *   anxiolytic, anticonvulsant, sedative
Diazoxide 0.115   treatment of hypertension and insulinoma
Dibenzepin 0.339 *   antidepressant
Dibrompropamidine 0.402 *   antiseptic, disinfectant
Dibunate 0.169   cough suppressant
Diclazuril (R/S) 0.555 / 0.622 ** PR / ERα cocciodiostat
Diclofenac 0.307 *   analgesic: some side effects
Dicoumarol 0.327 *   anticoagulant (Vitamin K antagonist)
Dicycloverine 0.363 *   anticholinergic drug
Didanosine 0.245   reverse transcriptase inhibitor
Dienestrol 0.591 ** ERα treatment of vulvar atrophy and atrophic vaginitis
Dienogest 0.597 ** PR oral contraceptive
Diethylcarbamazine 0.064   antihelmintic drug
Diethylthiambutene (R/S) 0.044 / 0.177   opioid analgesic
Difemerine 0.285   antimuscarinic
Difenoxin 0.400 *   opioid analgesic
Diflunisal 0.572 ** TRβ generic NSAID
Dihydrocodeine 0.158   opioid analgesic
Dihydroxyphenylglycine (DHPG) 0.290   mGluRS agonist
Diisopromine 0.163   neutralizes spastic conditions of the biliary tract
Diloxanide furoate 0.341 *   antiprotozoal drug
Diltiazem 0.195   treatment of hypertension, angina pectoris
Dimefline 0.091   respiratory stimulant
Dimethoxanate 0.180   cough suppressant
Diminazene 0.135   treatment of Trypanosmiasis
Diphenhydramine 0.309 *   antihistamine, antiemetic, sedative, hypnotic
Diphenylpyraline 0.269   antihistamine with psychostimulant properties
Dipivefrine (R/S) 0.066 / 0.115   treatment of glaucoma
Diproqualone (R/S) 0.259 / 0.244   sedative, anxiolytic, analgesic
Dipyramide (R/S) 0.270 / 0.127   antiarrhythmic medication
Disopyridamole 0.136   inhibits thrombus formation
Ditazole 0.541 ** ERα platelet-aggregation inhibitor
Dithranol 0.348 *   treatment of psoriasis
Dizocilpine 0.200   anticonvulsant
Dobutamine (R/S) 0.353 / 0.098 *   treatment of heart failure and cardiogenic shock
Dofetilide 0.000   class III antiarrhythmic agent
Dolasetron 0.173   treatment of nausea/vomiting following chemotherapy
Domperidone 0.158   antidopaminergic drug
Dorzolamide (R/S) 0.029 / 0.068   treatment of glaucoma, ocular hypertension
Dosulepin 0.340 *   antidepressant
Dotarizine 0.446 *   vasodilator
Doxazosin (R/S) 0.517 / 0.430 ** GR treatment of hypertension
Doxefazepam (R/S) 0.546 / 0.464 ** ERα anxiolytic, anticonvulsant, sedative
Doxofylline 0.123   treatment of asthma
Doxylamine (R/S) 0.051 / 0.000   short-term sedative
Dronedarone 0.245   treatment of cardiac arrhythmias
Droperidol 0.474 *   antiemetic, antipsychotic
Dropropizine (R/S) 0.505 / 0.549 ** ERα cough suppressant
Drospirenone 0.628 ** PR oral contraceptive
Drotaverine 0.327 *   antispasmodic drug
Drotebanol 0.144   cough suppressant
Droxicam 0.234   NSAID
Droxypropine 0.149   cough suppressant
Dutasteride 0.189   treatment of benign prostatic hyperplasia
Dyclonine 0.390 *   oral anesthetic (throat lozenges)
Dydrogesterone 0.535 ** PR progesterone hormone
Ebastine 0.403 *   antihistamine
Econazole (R/S) 0.378/ 0.377 *   antifungal medication
Efaroxan (R/S) 0.276 / 0.108   &alpha2-blocker
Eflornithine 0.292   treatment of African trypanosomiasis
Efloxate 0.476 *   vasodilator
Efonidipine (R/S) 0.265 / 0.221   calcium channel blocker
Elesclomol 0.173   chemotherapy adjuvant
Eletriptan 0.342 *   treatment of migraine headaches
Elfazepam 0.238   sedative, anxiolytic
Eliprodil (R/S) 0.004 / 0.299   neuroprotective, anticonvulsant
Ellipticine 0.260   anticancer drug
Eltrombopag 0.198   treatment of thrombocytopenia
Embramine (R/S) 0.130 / 0.025   antihistamine
Embutramide 0.470 *   sedative drug
Emedastine 0.073   antihistamine
Emopamil (R/S) 0.237 / 0.233   calcium channel blocker
Enadoline 0.257   selective κ-opioid agonist
Enalaprilate 0.393 *   treatment of hypertension
Encainide (R/S) 0.309 / 0.267   antiarrhythmic agent
Endralazine 0.018   treatment of hypertension
Enoximone 0.298   treatment of congestive heart failure
Ensaculin 0.362 *   treatment of dementia
Entacapone 0.057   treatment of Parkinson's disease
Entecavir 0.474 *   treatment of hepatitis B
Epalrestat 0.600 ** TRβ treatment of diabetic neuropathy
Eperisone (R/S) 0.190 / 0.164   antispasmodic drug
Epinastine (R/S) 0.360 / 0.272 *   antihistamine
Epirizole 0.257   NSAID
Epirubicin 0.253   chemotherapeutic drug
Eplerenone 0.527 ** MR treatment of chronic heart failure
Eprosartan (cis/trans) 0.497 / 0.311 *   treatment of high blood pressure
Eprazinone (RR/RS/SR/SS) 0.222 / 0.239 / 0.060 / 0.067   mucolytic drug
Erdosteine (R/S) 0.316 / 0.145 *   mucolytic drug
Ergonovine 0.656 ** ERβ medical use in obstetrics
Esmolol (R/S) 0.225 / 0.237   β1-receptor blocker
Estazolam 0.398 *   anxiolytic, anticonvulsant, sedative
Estramustine 0.313 *   treatment of prostate cancer
Estrone sulfate 0.348 *   sulfated estrone (estrogenic hormone)
Etacrynic acid 0.163   loop diuretic
Etafedrine (RR/RS/SR/SS) 0.004 / 0.176 / 0.000 / 0.000   bronchodilator
Etafenone 0.375 *   vasodilator
Etamivan 0.439 *   respiratory stimulant
Etaqualone 0.352 *   sedative and hypnotic properties
Etazolate 0.359 *   anxiolytic drug
Ethadione 0.029   anticonvulsant
Ethenzamide 0.211   analgesic, NSAID
Ethinamate 0.131   sedative-hypnotic medication
Ethinylestradiol 0.790 *** ERα oral contraceptive
Ethisterone 0.718 *** PR progestogen hormone
Ethoheptazine (R/S) 0.301 / 0.266 *   opioid analgesic
Ethosuximide (R/S) 0.132 / 0.151   anticonvulsant
Ethotoin (R/S) 0.112 / 0.111   anticonvulsant
Ethoxzolamide 0.639 ** ERα treatment of glaucoma
Ethylbiscoumacetate 0.160   vitamin K antagonist
Ethylloflazepate (R/S) 0.326 / 0.307 *   anxiolytic, anticonvulsant, sedative
Eticyclidine 0.032   anesthetic, hallucinogenic
Etidocaine (R/S) 0.068 / 0.159   local anesthetic
Etifoxine (R/S) 0.447 / 0.298 *   anxiolytic, anticonvulsant
Etilefrine (R/S) 0.136 / 0.243   cardiac stimulant
Etiracetam (R/S) 0.003 / 0.001   nootropic: mild side effects
Etizolam 0.266   amnesic, anxiolytic, anticonvulsant, hypnotic, sedative
Etodolac (R/S) 0.242 / 0.258   NSAID
Etofamide 0.315 *   antiprotozoal drug
Etofenamate 0.491 *   treatment of joint and muscular pain
Etofibrate 0.105   hybrid drug: clofibrate and niacin
Etomidate 0.154   general anesthetic, sedative
Etonitazene 0.369 *   analgesic
Etonogestrel 0.659 ** ERβ hormonal contraceptive
Etoperidone 0.244   antidepressant
Etoricoxib 0.242   COX-2 selective inhibitor
Etoxadrol 0.238   dissociative anesthetic
Etravirine 0.205   treatment of HIV
Etretinate 0.547 ** GR treatment of severe psioriasis
Etybenzatropine 0.237   treatment of Parkinson's disease
Etymemazine (R/S) 0.000 / 0.000   antihistamine
Eupatilin 0.547 ** MR treatment of acid-related disorders
Exemestane 0.532 ** ERα treatment of breast cancer
Fadrozole (R/S) 0.187 / 0.197   treatment of breast cancer
Falipamil 0.239   calcium channel blocker
Famciclovir 0.196   antiviral drug
Famotidine 0.361 *   treatment of peptic ulcer disease
Fananserin 0.058   sedative, antipsychotic
Fasoracetam (R/S) 0.242 / 0.369 *   nootropic
Fasudil 0.243   treatment of cerebral vasospasm
Febuxostat 0.300   treatment of hyperuricemia
Fedrilate (R/S) 0.472 / 0.499 *   cough suppressant
Felbamate 0.147   anticonvulsant
Felbinac 0.148   NSAID
Felodipine 0.434 *   calcium channel blocker
Femoxetine 0.377 *   antidepressant
Fenbendazole 0.148   anthelmintic agent
Fenbufen 0.511 ** TRβ NSAID
Fendiline (R/S) 0.313 / 0.378 *   calcium channel blocker
Fenethylline (R/S) 0.222 / 0.282   stimulant drug
Fenobam 0.147   anxiolytic drug
Fenoldopam (R/S) 0.184 / 0.173   dopamine D1A receptor agonist
Fenoprofen (R/S) 0.223/ 0.105   NSAID
Fenoterol (RR/RS/SR/SS) 0.205 / 0.197 / 0.176 / 0.203   asthma medication
Fenoverine 0.375 *   antispasmodic drug
Fenozolone (R/S) 0.131 / 0.323 *   stimulant drug
Fenoxazoline 0.136   nasal preparation
Fenpiprane 0.291   treatment of gastrointestinal disorders
Fenproporex (R/S) 0.137 / 0.027   appetite suppressant
Fenquizone (R/S) 0.231 / 0.294   diuretic
Fenretinide 0.336 *   treatment of cancer, cystic fibrosis, arthritis, acne, psoriasis
Fenspiride 0.269   treatment of certain respiratory diseases
Fentanyl 0.162   opioid analgesic
Fentiazac 0.331 *   treatment of joint and muscular pain
Fenticonazole (R/S) 0.560 / 0.388 ** ERα antifungal drug
Feprazone 0.314 *   treatment of joint and muscular pain
Fexofenadine (R/S) 0.177 / 0.312 *   antihistamine
Finasteride 0.581 ** AR antiandrogen: birth defects, depression
Fipexide 0.407 *   nootropic (senile dementia): adverse reactions, out of use
Flavoxate 0.417 *   anticholinergic drug; muscle relaxant
Flecainide 0.443 *   antiarryhthmic agent
Fleroxacin 0.175   antibacterial drug
Flesinoxan 0.344 *   anxiolytic drug
Fletazepam 0.251   sedative, anxiolytic
Flibanserin 0.487   antidepressant; lifestyle drug
Flopropione 0.293   antispasmodic drug
Florantyrone 0.561 ** TRα treatment of biliary dyskinesia
Florfenicol 0.118   treatment of bovine respiratory disease
Flosequinan 0.120   vasodilator
Fluacizine 0.000   antidepressant
Flubendazole 0.404 *   anthelmintic
Fluconazole 0.179   antifungal drug
Fludiazepam 0.376 *   anxiolytic, anticonvulsant, sedative
Fludorex (R/S) 0.178 / 0.144   appetite suppressant
Fludrocortisone 0.457 *   synthetic corticosteroid
Fludroxycortide 0.576 * MR synthetic steroid (anti-inflammatory drug)
Flufenamic acid 0.356 *   NSAID
Fluindione 0.202   vitamin K antagonist
Flumazenil 0.264   benzodiazepine antidote
Flumedroxone 0.392 *   corticosteroid (treatment of migraine)
Flumetasone 0.432 *   corticosteroid (treatment of otitis externa)
Fluminorex (R/S) 0.153 / 0.150   appetite suppressant
Flunarizine 0.468 *   prophylaxis of migraine
Flunisolide 0.503 ** GR corticosteroid (treatment of allergic rhinitis)
Flunixin 0.521 ** MR NSAID
Flunoxaprofen 0.428 *   NSAID
Fluocortin 0.221   corticosteroid
Fluocortolone 0.356 *   glucocorticoid (treatment of hemorrhoids)
Fluorometholone 0.456 *   corticosteroid (used after laser-based refractive surgery)
Fluorouracil 0.206   antimetabolite (cancer treatment)
Flupentixol (E/Z) 0.346 / 0.209 *   antipsychotic drug
Fluphenazine 0.392 *   antipsychotic drug
Flupirtine 0.312 *   analgesic
Fluproquazone 0.395 *   analgesic, antipyretic, anti-inflammatory
Flurbiprofen (R/S) 0.252 / 0.215   NSAID
Fluspirilene 0.092   treatment of schizophrenia
Flutamide 0.134   antiandrogen, treatment of prostate cancer
Flutazolam (R/S) 0.383 / 0.390 *   sedative, muscle relaxant, anticonvulsant, anxiolytic
Flutemazepam (R/S) 0.443 / 0.449 *   sedative, anxiolytic
Flutoprazepam 0.286   sedative, hypnotic, anxiolytic, anticonvulsant
Flutrimazole (R/S) 0.314 / 0.333 *   antifungal agent
Folinic acid (RR/SR) 0.217 / 0.007   adjuvant used in cancer chemotherapy
Formestane 0.487 *   treatment of breast cancer
Forodesine 0.080   treatment of chronic lymphocytic leukemia
Fosazepam 0.369 *   sedative, anxiolytic
Fosfestrol 0.000   antienoplastic agent
Fosinopril 0.178   treatment of hypertension
Fosphenytoin 0.080   treatment of epileptic seizures
Frovatriptan 0.248   treatment of migraine headaches
Furethidine (R/S) 0.284 / 0.201   opioid analgesic
Furfenorex (R/S) 0.000 / 0.044 *   appetite suppressant
Furosemide 0.116   loop diuretic: renal toxicity in rats
Gabapentin 0.179   treatment of epilepsy
Gabexate 0.157   treatment of pancreatitis
Gaboxadol 0.198   experimental sleeping pill
Gacyclidine 0.000   neuroprotective agent
Galantamine 0.307 *   treatment of Alzheimer's disease: gastrointestinal syndromes
Gallamine 0.000   muscle relaxant
Gallopamil (R/S) 0.214 / 0.093   calcium channel blocker
Ganaxolone 0.631 ** AR sedative, anxiolytic, anticonvulsant
Ganciclovir 0.291   antiviral drug
Gapicomine 0.113   coronary vasodilator
Gedocarnil 0.361 *   anxiolytic drug
Gefitinib 0.401 *   treatment of certain types of cancer
Gemfibrozil 0.308 *   lipid-level lowering drug
Gepefrine (R/S) 0.160 / 0.080   cardiac stimulant
Gestodene 0.662 ** PR hormonal contraceptive
Gilutensin 0.330 *   treatment of hypotension
Girisopam 0.507 ** AhR anxiolytic drug
Glibenclamide 0.000   antidiabetic drug
Glimepiride 0.001   antidiabetic drug
Glipizide 0.000   antidiabetic drug
Gliquidone 0.051   antidiabetic drug
Glutethimide (R/S) 0.360 / 0.217 *   hypnotic sedative
Glyclopyramide 0.131   antidiabetic drug
Granisetron 0.186   treatment of nausea and vomiting following chemotherapy
Griseofulvin 0.224   antifungal drug
Guaifenesin (R/S) 0.295 / 0.278   expectorant drug
Guanadrel (R/S) 0.243 / 0.275   antihypertensive agent
Guanabenz 0.186   antihypertensive drug
Guanoxan (R/S) 0.163 / 0.194   sympatholytic drug
Halazepam 0.266   anxiolytic, anticonvulsant, sedative, muscle relaxant
Halcinonide 0.614 ** GR corticosteroid (treatment of certain skin conditions)
Halofantrine (R/S) 0.469 / 0.392 *   treatment of malaria
Halofuginone 0.192   coccidiostat
Halometasone 0.542 ** GR corticosteroid
Haloperidol 0.335 *   treatment of schizophrenia
Haloprogin 0.255   treatment of athlete's foot and other fungal infections
Haloxazolam (R/S) 0.309 / 0.239 *   anxiolytic
Hexacyclonate 0.152   treatment of hyperlipoproteinemia
Hexapropymate 0.202   hypnotic/sedative drug
Hexobarbital (R/S) 0.287 / 0.086   hypnotic/sedative agent
Hexylcaine (R/S) 0.386 / 0.351 *   local anesthetic
Histapyrrodine 0.356 *   antihistamine with anticholinergic properties
Homochlorcyclizine (R/S) 0.297 / 0.220   antiallergic drug
Huperzine A 0.172   neuroprotective effects: low toxicity
Hycanthone 0.202   schistosomicide
Hydralazine 0.198   vasodilator
Hydrochlorothiazide 0.209   diuretic drug
Hydrocodone 0.189   semi-synthetic opioid
Hydroflumethiazide 0.219   diuretic
Hydromorphinol 0.154   morphine derivative (sedative, analgesic)
Hydroxychloroquine (R/S) 0.125 / 0.191   antimalarial drug
Hydroxydione 0.733 *** ERα general anesthetic
Hydroxypethidine 0.253   opioid analgesic
Hydroxyurea 0.005   antienoplastic drug
Hydroxyzine (R/S) 0.338 / 0.596 ** ERβ first-generation antihistamine
Hymecromone 0.346 *   used in bile therapy
Ibopamine 0.181   sympathomimetic
Ibudilast 0.200   anti-inflammatory drug
Ibuprofen (R/S) 0.154/ 0.181   NSAID; treatment of arthritis, fewer
Ibuproxam (R/S) 0.420 / 0.343 *   NSAID
Iclaprim (R/S) 0.318 / 0.280   treatment of skin and tissue infections
Iclazepam 0.247   sedative, anxiolytic
Idazoxan (R/S) 0.107 / 0.135   antidepressant (not marketed)
Idoxuridine 0.308 *   antiviral drug
Ifenprodil (RR/RS/SR/SS) 0.281 / 0.367 / 0.342 / 0.235   selective inhibitor of the NMDA receptor
Iloperidone 0.160   investigational antipsychotic
Imatinib 0.000   treatment of CML and GISTs: various side effects
Imidafenacin 0.361   urinary antispasmodic
Imidapril 0.030   antihypertensive
Imiquimod 0.256   immune-response modifier
Imolamine 0.315 *   vasodilator
Impromidine 0.144   histamine H2 receptor agonist
Imuracetam 0.084   nootropic drug
Inamrinone 0.263   treatment of congestive heart failure
Indanorex (R/S) 0.237 / 0.166   appetite suppressant
Indapamide (R/S) 0.355 / 0.226 *   diuretic
Indatraline 0.307 *   monoamine reuptake inhibitor
Indecainide 0.312 *   antiarrhythmic agent
Indeloxazine 0.293   antidepressant, anticonvulsant
Indinavir 0.000   treatment of HIV infection and AIDS
Indobufen (R/S) 0.451 / 0.400 *   platelet aggregation inhibitor
Indomethazine 0.421 *   NSAID
Indoprofen (R/S) 0.260 / 0.457 *   NSAID
Indoramin 0.169   α-1 selective adrenoreceptor antagonist
Iprazochrome (R/S) 0.145 / 0.212   antimigraine agent
Ipriflavone 0.395 *   prevention of osteoporosis
Iprindole 0.333 *   antidepressant
Iproclozide 0.119   antidepressant
Iproniazid 0.092   antidepressant
Ipsapirone 0.182   anxiolytic
Irinotecan 0.000   treatment of colon cancer
Isavuconazole 0.207   antifungal drug
Isoaminile (RR/RS/SR/SS) 0.220 / 0.142 / 0.173 / 0.277   cough suppressant
Isobromindione 0.281   treatment of gout
Isocarboxazid 0.061   treatment of resistant depression
Isoconazole (R/S) 0.262 / 0.463 *   antifungal drug
Isoetarine (RR/RS/SR/SS) 0.128 / 0.122 / 0.000 / 0.010   β2-receptor antagonist
Isoprenaline (R/S) 0.172 / 0.109   sympathomimetic
Isosorbide mononitrate 0.318 *   treatment of angina pectoris
Isothipendyl (R/S) 0.066 / 0.012   antipruritic drug
Isotretinoin 0.577 ** TRα retinoid; treatment of severe acne
Ispronicline 0.314 *   treatment of dementia and Alzheimer's disease: well tolerated
Isradipine 0.212   treatment of high blood pressure
Istradefylline 0.422 *   treatment of Parkinson's disease
Itopride 0.437 *   treatment of functional dispepsia
Ivabradine 0.476 *   antianginal drug
Kebuzone 0.182   NSAID
Ketamine (R/S) 0.033 / 0.131   analgesic, anesthetic
Ketanserin 0.004   antihypertensive
Ketazolam (R/S) 0.279 / 0.218   anxiolytic, anticonvulsant, sedative, muscle relaxant
Ketobemidone 0.172   treatment of severe pain
Ketoconazole 0.463 *   antifungal drug
Ketoprofen (R/S) 0.372 / 0.271 *   NSAID
Ketorolac (R/S) 0.341 / 0.380 *   NSAID
15-Ketosterol 0.323 *   potential anti-atherosclerotic agent
Ketotifen 0.422 *   treatment of allergic reactions; prevention of asthma attacks
Lamotrigine 0.254   anticonvulsant drug
Latanoprost 0.374 *   treatment of glaucoma, ocular hypertension
Lefetamine 0.148   psychoactive drug (stimulant and analgesic)
Leflunomide 0.205   treatment of rheumatoid and psoriatic arthritis
Lerisetron 0.334 *   antinauseant
Letrozole 0.214   treatment of hormonally-responsive breast cancer
Levallorphan 0.313 *   general anesthetic
Levetiracetam 0.041   treatment of epilepsy
Levobunolol (S) 0.295 *   beta blocker, treatment of glaucoma
Levobupivacaine 0.251   local anesthetic
Levocabastine 0.000   treatment of allergic conjunctivitis
Levocetirizine 0.582 ** TRα non-sedative antihistamine
Levodropropizine 0.524 ** ERα cough suppressant
Levomepromazine 0.202   neuroleptic drug
Levonantradol 0.318 *   antiemetic, analgesic
Levonordefrin 0.077   topical nasal decongestant
Levonorgestrel 0.603 ** PR hormonal contraceptive
Levorphanol 0.171   opioid medication: treatment of severe pain
Levosimendan 0.570 ** MR treatment of congestive heart failure
Levothyroxine 0.102   treatment of hyperthyroidism
Lidocaine 0.000   local anesthetic
Lidoflazine 0.000   calcium channel blocker
Linopirdine 0.390 *   psychostimulant, nootropic
Liothyronine 0.380 *   thyroid hormone: various side effects
Lisinopril 0.048   treatment of hypertension, congestive heart failure
Lobenzarit 0.331 *   treatment of arthritis
Lofendazam 0.440 *   sedative, anxiolytic
Lofentanil 0.075   opioid analgesic
Lofexidine (R/S) 0.275 / 0.098   short-acting antihypertensive
Lomerizine 0.370 *   treatment of migraine
Lomustine 0.034   chemotherapeutic agent
Lonazolac 0.446 *   NSAID
Lonidamine 0.447 *   chemotherapeutic agent
Loperamide 0.106   treatment of diarrhea
Lopirazepam (R/S) 0.257 / 0.148   anxiolytic, hypnotic properties (never marketed)
Loprazolam 0.243   anxiolytic, anticonvulsant, sedative, muscle relaxant
Loratadine 0.557 ** ERα antiallergic, non-sedating
Lorcainide 0.390 *   antiarrhythmic agent
Loreclezole 0.311 *   sedative, anticonvulsant
Lornoxicam 0.237   NSAID
Losartan 0.150   treatment of hypertension
Loviride (R/S) 0.360 / 0.384 *   treatment of HIV
Loxapine 0.127   treatment of schizophrenia
Loxoprofen (RR/RS/SR/SS) 0.269 / 0.352 / 0.212 / 0.264 *   NSAID
Lubeluzole (R/S) 0.000 / 0.092   treatment of stroke
Lumefantrine (RE/RZ/SE/SZ) 0.000 / 0.000 / 0.272 / 0.376 *   antimalarial drug
Lurosetron 0.350 *   serotonin 5-HT3 receptor antagonist
Mabuterol (R/S) 0.268 / 0.189   β-adrenergic agonist
Malotilate 0.289   treatment of liver disease
Manidipine 0.156   calcium channel blocker
Maprotiline 0.304 *   antidepressant drug
Masoprocol 0.438 *   antienoplastic drug
Mazindol (R/S) 0.116 / 0.190   CNS stimulant
Mebendazole 0.347 *   treatment of worm infestations
Mebeverine (R/S) 0.453 / 0.315 *   antispasmodic drug
Mebhydrolin 0.288   antihistamine
Mebutamate (R/S) 0.113 / 0.031   sedative, anxiolytic with antihypertensive effects
Mecamylamine 0.116   treatment of hypertension
Meclizine (R/S) 0.328 / 0.127   antihistamine
Meclofenamic acid 0.386 *   treatment of joint and muscular pain
Meclonazepam 0.179   sedative, anxiolytic
Mecloqualone 0.463 *   sedative, hypnotic, anxiolytic
Medazepam 0.107   anxiolytic, anticonvulsant, sedative, muscle relaxant
Medetomidine (R/S) 0.044 / 0.263   surgical anesthetic and analgesic
Medifoxamine 0.266   antidepressant
Medrysone 0.540 ** GR synthetic corticosteroid used in ophthalmology
Mefenamic acid 0.393 *   NSAID
Mefenorex (R/S) 0.186 / 0.070   appetite suppressant
Mefloquine 0.295   antimalarial drug
Mefruside 0.373 *   treatment of edema and hypertension
Megestrol 0.531 ** PR treatment of advanced breast/endometrium carcinoma
Meladrazine 0.161   antispasmodic used in urology
Melitracen 0.441 *   antidepressant
Meloxicam 0.115   NSAID
Melperone 0.412 *   antipsychotic drug
Melphalan (R/S) 0.224 / 0.316 *   chemotherapeutic drug
Menitrazepam 0.148   sedative, anticonvulsant, muscle relaxant, anxiolytic
Mephenesin (R/S) 0.346 / 0.302   muscle relaxant
Mephenoxalone (R/S) 0.222 / 0.240 *   anxiolytic drug
Mephenytoin (R/S) 0.115 / 0.066   anticonvulsant
Mephentermine 0.078   cardiac stimulant
Mepitiostane 0.511 ** ERα anabolic steroid
Mepivacaine 0.101   local anesthetic
Mepixanox 0.371 *   respiratory stimulant
Meprobamate 0.069   anxiolytic drug
Meprotixol (R/S) 0.146 / 0.204   cough suppressant
Meprylcaine 0.214   local anesthetic
Meptazinol (R/S) 0.280 / 0.088   opioid analgesic used in obstetrics
Mepyramine 0.214   first-generation antihistamine
Mequinol 0.263   treatment of liver spots
Mequitazine 0.287   antihistamine
Mercaptopurine 0.086   immunosuppressive drug
Mesalazine 0.274   NSAID
Mesoridazine (R/S) 0.288 / 0.269   treatment of schizophrenia
Mestanolone 0.685 ** AR 17α-methylated version of DHT
Mesterolone 0.676 ** AR orally applicable androgen (DHT derivative)
Mestranol 0.657 ** ERβ oral contraceptive
Mesuximide (R/S) 0.048 / 0.132   anticonvulsant
Metaclazepam (R/S) 0.445 / 0.276 *   anxiolytic drug
Metamizole 0.168   NSAID; powerful painkiller, fewer reducer
Metaraminol 0.093   treatment of hypotension
Metaxalone (R/S) 0.311 / 0.354 *   muscle relaxant
Metenolone 0.646 ** AR anabolic steroid
Methandriole 0.734 *** AR anabolic steroid
Methcathinone (R/S) 0.226 / 0.165   psychoactive stimulant
Methapyrilene 0.314 *   antihistamine with sedative effects
Metharbital 0.289   anticonvulsant
Methazolamide 0.235   treatment of glaucoma
Methdilazine (R/S) 0.172 / 0.353 *   antihistamine
Methimazole 0.000   antithyroid drug
Methocarbamol (R/S) 0.105 / 0.193   treatment of muscle spasms
Methoxamine (RR/RS/SR/SS) 0.153 / 0.152 / 0.300 / 0.130   treatment of supraventicular tachycardia
Methotrexate 0.325 *   antifolate drug
Methoxsalen 0.264 *   treatment of psoriasis, eczema
Methoxyphedrine (R/S) 0.316 / 0.145   stimulant drug
Methoxyphenamine (R/S) 0.230/ 0.147   NSAID
Methyldopa 0.113   antihypertensive drug
Methylpentynol (R/S) 0.083 / 0.084   hypnotic/sedative with anticonvulsant effects
Methylphenobarbital (R/S) 0.456 / 0.093   sedative, anxiolytic, anticonvulsant
Methylprednisolone 0.434 *   treatment of bronchial inflammation or acute bronchitis
Methysergide 0.598 ** ERβ treatment of migraine headaches
Meticrane 0.227   diuretic drug
Metirosine 0.146   antihypertensive drug
Metitepine (R/S) 0.359 / 0.196 *   antipsychotic drug
Metixene 0.402 *   anti-parkinson drug
Metizoline 0.137   nasal preparation
Metoclopramide 0.126   antiemetic drug
Metolazone (R/S) 0.495 / 0.542 ** MR thiazide diuretic
Metyrapone 0.245   treatment of hypercortisolism
Mexiletine (R/S) 0.249 / 0.154   antiarrhythmic agent
Mianserin (R/S) 0.290 / 0.197   antidepressant with antihistaminic/hypnosedative effects
Mibolerone 0.745 *** AR potent anabolic steroid
Miconazole 0.434 *   antifungal agent
Midazolam 0.164   anxiolytic, amnesic, hypnotic, anticonvulsant
Miglitol 0.159   antidiabetic drug
Miglustat 0.188   treatment of Type 1 Gaucher disease
Milnacipran 0.180   antidepressant
Milrinone 0.208 *   management of heart failure
Minaprine 0.564 ** ERα antidepressant
Minaxolone 0.313 *   general anesthetic
Mirfentanil 0.000   analgesic (μ-opioid receptor antagonist)
Miroprofen (R/S) 0.117 / 0.102   NSAID
Misoprostol 0.492 *   prevention of NSAID-induced gastric ulcers; abortifacient
Mitiglinide 0.143   treatment of type-2 diabetes
Mitotane (R/S) 0.325 / 0.409 *   treatment of adrenocortical carcinoma
Mitoxantrone 0.000   antienoplastic agent
Mitozolomide 0.083   antienoplastic agent
Mivazerol 0.150   α-adrenergic agonist
Mizolastine 0.027   non-sedating antihistamine
Mizoribine 0.174   immunosuppressive drug
Mofebutazone (R/S) 0.193 / 0.084   treatment of joint and muscular pain
Mofezolac 0.373 *   NSAID
Molindone (R/S) 0.433 / 0.277 *   treatment of schizophrenia
Mometasone furoate 0.581 ** GR treatment of eczema, psoriasis, hay fewer, asthma
Monatepil (R/S) 0.000 / 0.031   calcium channel blocker
Monobenzone 0.569 ** ERβ topical drug for medical depigmentation
Morclofone 0.425 *   cough suppressant
Moricizine 0.349 *   antiarrhythmic drug
Morinamide 0.248   treatment of tuberculosis
Morniflumate 0.217   NSAID
Morpheridine 0.156   opioid analgesic drug
Morphine 0.158   opioid analgesic drug: neurotoxic
Mosapramine (R/S) 0.366 / 0.367 *   antipsychotic drug
Mosapride 0.458 *   treatment of irritable bowel syndrome
Moxastine 0.117   antihistamine
Moxaverine 0.413 *   treatment of gastrointestinal disorders
Moxisylyte 0.214   treatment of erectile dysfunction
Moxonidine 0.241   antihypertensive drug
Mozavaptan (R/S) 0.255 / 0.000   treatment of hyponatremia
Muzolimine (R/S) 0.096 / 0.225   diuretic drug
Mycophenolic acid 0.256   immunosuppressant drug
Nabilone 0.438 *   synthetic cannabinoid
Nabumetone 0.355 *   NSAID
Nadolol (R/S) 0.169 / 0.101   treatment of high blood pressure, migraine and chest pain
Nafamostat 0.097   anticoagulant
Naftifine 0.223   antifungal drug
Naftopidil (R/S) 0.292 / 0.249   treatment of high blood pressure
Nalbuphine 0.127   synthetic opioid (analgesic)
Nalidixic acid 0.317 *   bacteriostatic
Naloxone 0.148   treatment of opioid overdose
Naltrexone 0.095   management of alcohol/opioid dependence
Naphazoline 0.232   vasoconstrictor
Naproxen (R/S) 0.306 / 0.320 *   NSAID: gastrointestinal disturbances
Naratriptan 0.244   treatment of migraine headaches
Nateglinide 0.205   treatment of type 2 diabetes
Nealbarbital 0.527 ** PPARγ sedative, hypnotic
Nebracetam (R/S) 0.207 / 0.143   antidepressant
Necopidem 0.372 *   sedative, anxiolytic
Nedocromil 0.302 *   treatment of asthma
Nefazodone 0.298   antidepressant; withdrawn
Nefiracetam 0.333 *   nootropic: testicular toxicity in rats
Nefopam (R/S) 0.236 / 0.305 *   analgesic drug
Neltenexine 0.306 *   mucolytic drug
Nepafenac 0.434 *   NSAID
Nepicastat 0.062   treatment of congestive heart failure
Nepinalone (R/S) 0.359 / 0.165 *   cough suppressant
Nerisopam 0.399 *   anxiolytic, neuroleptic
Neticonazole 0.266   antifungal drug
Nevirapine 0.054   treatment of HIV infections and AIDS
Nialamide 0.129   antidepressant
Niaprazine (R/S) 0.000 / 0.000   sedating antihistamine
Nicardipine (R/S) 0.408 / 0.189 *   treatment of high blood pressure and angina
Nicergoline 0.221   treatment of senile dementia
Niclosamide 0.451 *   anthelmintic drug (teniacide)
Nicorandil 0.050   treatment of angina
Nifedipine 0.193   calcium-channel blocker; antianginal: mild side effects
Nifekalant 0.031   anti-arrhythmic agent
Nifenazone 0.219   treatment of joint and muscular pain
Niflumic acid 0.442 *   treatment of joint and muscular pain
Nifuratel (R/S) 0.186 / 0.044   drug used in gynecology
Nifuroxazide 0.500 *   treatment of colitis and diarrhea
Nifurtimox (R/S) 0.047 / 0.065   treatment of Chagas disease and sleeping sickness
Nifurtoinol 0.421 *   treatment of urinary tract infections
Nifurzide 0.323 *   anti-infective agent
Nilutamide 0.215   treatment of prostate cancer
Nilvadipine (R/S) 0.137 / 0.283   calcium-channel blocker
Nimetazepam 0.339 *   powerful hypnotic drug
Nimodipine (R/S) 0.202 / 0.247   calcium-channel blocker
Nimorazole 0.148   antiinfective agent
Niperotidine (E/Z) 0.153 / 0.327 *   antihistamine
Niridazole 0.106   schistosomicide
Nisoxetine (R/S) 0.173 / 0.190   antidepressant
Nitazoxanide 0.126   antiprotozoal agent
Nitisinone 0.209   treatment of hereditary tyrosinemia type 1
Nitrazepam 0.490 *   powerful hypnotic drug
Nitroxoline 0.043   antibiotic drug
Nizofenone 0.000   psychostimulant, nootropic
Nocodazole 0.188   antienoplastic agent
Nolatrexed 0.429 *   thymidylate synthase inhibitor
Nonabine (RR/RS/SR/SS) 0.472 / 0.387 / 0.468 / 0.427 *   antiemetic drug
Norcodeine 0.206   opiate analogue
Nordazepam 0.346 *   anticonvulsant, anxiolytic, muscle relaxant, sedative
Norfenefrine (R/S) 0.169 / 0.082   cardiac stimulant
Norgestimate 0.478 *   hormonal contraceptive
Norgestrienone 0.616 ** ERβ progestogen hormone
Normethadone 0.266   cough suppressant
Normorphine 0.254   major metabolite of morphine
Ocfentanil 0.233   opioid analgesic
Ocinaplon 0.411 *   anxiolytic drug
Octodrine (R/S) 0.142 / 0.121   stimulant drug
Olopatadine 0.162   antihistamine
Olprinone 0.209   cardiotonic agent
Olsalazine 0.419 *   treatment of inflammatory bowel disease
Oltipraz 0.000   schistosomicide
Omapatrilat 0.363 *   antihypertensive agent
Omoconazole 0.429 *   antifungal drug
Ondansetron (R/S) 0.450 / 0.260 *   antiemetic: few side effects
Opipramol 0.382 *   anxiolytic drug
Orciprenaline (R/S) 0.127 / 0.180   bronchodilator
Ormeloxifene 0.452 *   non-steroidal oral contraceptive
Ornidazole (R/S) 0.265 / 0.041   treatment of protozoan infections (poultry industry)
Orphenadrine (R/S) 0.260 / 0.310 *   anticholinergic drug
Oseltamivir (prodrug/drug) 0.126 / 0.056   antiviral drug: several adverse reactions
Oxabolone 0.567 ** AR anabolic steroid
Oxaceprol 0.284   NSAID (treatment of osteoarthritis)
Oxametacin 0.626 ** AR NSAID
Oxamniquine (R/S) 0.208 / 0.125   antihelmintic with schistosomicidal activity
Oxantel 0.228   antihelmintic
Oxaprotiline (R/S) 0.221 / 0.297   antidepressant
Oxaprozin 0.301 *   NSAID
Oxatomide 0.378 *   antihistamine
Oxazepam (R/S) 0.270 / 0.305 *   anxiolytic, anticonvulsant, sedative
Oxcarbazepine 0.394 *   anticonvulsant
Oxetorone 0.337 *   antimigraine agent
Oxibendazole 0.379 *   treatment of worm infestations in horses and pets
Oxiconazole 0.176   antifungal medication
Oxidopamine 0.084   dopamine derivative (neurotransmitter analogue)
Oxilorphan 0.208   opioid antagonist
Oxiracetam (R/S) 0.170 / 0.102   nootropic: safe compound, not toxic
Oxodipine 0.245   calcium channel blocker
Oxolamine 0.129   cough suppressant
Oxomemazine (R/S) 0.166 / 0.216   antihistamine
Oxpheneridine (R/S) 0.165 / 0.111   opioid analgesic
Oxprenolol (R/S) 0.243 / 0.148   treatment of angina pectoris
Oxybutynin (R/S) 0.166 / 0.064   anticholinergic medication
Oxycinchophen 0.260   antirheumatic agent
Oxyclozanide 0.298   antihelmintic agent
Oxycodone 0.127   opioid analgesic
Oxyfedrine (RR/RS/SR/SS) 0.222 / 0.158 / 0.118 / 0.237   vasodilator
Oxymetazoline 0.128   decongestant
Oxymorphone 0.046   semi-synthetic opioid analgesic
Oxypertine 0.264   antipsychotic
Oxyphenbutazone (R/S) 0.310 / 0.314 *   antiemetic: few side effects
Oxyphencyclimine (R/S) 0.078 / 0.197   antimuscarinic drug
Oxyphenisatine 0.520 ** ERβ laxative
Ozagrel 0.465 *   improvement of motor coordination
Pagoclone (R/S) 0.214 / 0.166   anxiolytic drug
Paliperidone (R/S) 0.080 / 0.082   atypical antipsychotic
Palonosetron 0.234   treatment of chemotherapy-induced nausea and vomiting
Pamaquine (R/S) 0.000 / 0.074   treatment of malaria
Panadiplon 0.098   anxiolytic drug
Paracetamol 0.212   analgesic drug, antipyretic: non carcinogenic
Parahydroxyamphetamine (R/S) 0.255 / 0.158   nervous stimulant (alkaloid; occurs also in plants)
Paramethadione (R/S) 0.007 / 0.004   anticonvulsant
Paramethasone 0.587 ** GR anti-inflammatory drug
Pargyline 0.000   antihypertensive drug
Pefloxacin 0.141   treatment of life-threatening bacterial infections
Pemirolast 0.160   anti-allergic drug
Pempidine 0.021   ganglionic blocker
Penbutolol (R/S) 0.261 / 0.320 *   treatment of high blood pressure
Penciclovir 0.186   treatment of herpes virus infections
Penicillamine 0.077   pharmaceutical chelator
Pentamidine 0.135   antimicrobal medication
Pentifylline 0.103   vasodilator
Pentoxifylline 0.142   treatment of intermittent claudication and vascular dementia
Pentoxyverine 0.117   cough suppressant
Pergolide 0.099   treatment of Parkinsons's disease
Perhexiline (R/S) 0.181 / 0.343 *   antianginal agent: frequent adverse effects
Periciazine 0.391 *   antipsychotic drug
Perospirone 0.242   antipsychotic drug
Perphenazine 0.269   antipsychotic drug
Pethidine 0.228   analgesic drug
Phanquinone 0.172   antiprotozoal agent
Phenacemide 0.261   anticonvulsant
Phenacetin 0.342 *   analgesic
Phenadoxone (R/S) 0.507 / 0.321 ** AR opioid analgesic
Phenampromide (R/S) 0.247 / 0.140   opioid analgesic
Phenazone 0.071   analgesic: hepatotoxic
Phenazopyridine 0.304 *   local analgesic (urinary tract infections)
Phencyclidine 0.145   anesthetic agent: hallucinogenic/neurotoxic
Phenelzine 0.118   antidepressant drug
Pheneridine 0.310 *   opioid analgesic
Pheneturide (R/S) 0.461 / 0.167 *   anticonvulsant
Phenibut (R/S) 0.287 / 0.203   improvement of neurological functions: low toxicity
Phenindamine (R/S) 0.260 / 0.365 *   antihistamine
Phenindione 0.145   anticoagulant
Pheniprazine (R/S) 0.173 / 0.182   antidepressant
Pheniramine (R/S) 0.159 / 0.265   antihistamine
Phenobarbital 0.594 ** ERα anticonvulsant
Phenoxybenzamine (R/S) 0.447 / 0.197 *   anti-hypertensive
Phenpentermine (R/S) 0.163 / 0.170   anorectic drug; acts also as diuretic
Phenprobamate 0.136   skeletal muscle relaxant
Phenprocoumon (R/S) 0.227 / 0.316 *   anticoagulant drug
Phenpromethamine (R/S) 0.152 / 0.175   stimulant drug (banned by the World Antidoping Agency)
Phensuximide (R/S) 0.111 / 0.143   anticonvulsant
Phentolamine 0.376 *   vasodilator
Phenylbutazone 0.284   antiepileptic: teratogen; possibly carcinogenic
Phenylephrine 0.108   decongestant
Phenylpiracetam (R/S) 0.282 / 0.183   nootropic: low toxicity
Phenyltoloxamine 0.107   antihistamine with sedative and analgesic effects
Phenytoin 0.420 *   antiepileptic: teratogen; possibly carcinogenic
Phetharbital 0.329 *   anticonvulsant, sedative
Pholcodine 0.145   opioid cough suppressant
Piberaline 0.296   stimulant and antidepressant
Picamilon 0.124   nicotinyl-GABA: low toxicity
Picenadol (R/S) 0.309 / 0.224   opioid analgesic
Pidotimod 0.230   immunostimulant
Pilocarpine 0.070   treatment of glaucoma, xerostomia
Pimethixene 0.302 *   treatment of hyperactivity, anxiety, sleep disorders
Pimobendan (R/S) 0.333 / 0.395 *   inotropic, vasodilator
Pimozide 0.060   antipsychotic drug
Pinacidil (R/S) 0.095 / 0.266   vasodilator
Pinazepam 0.467 *   anxiolytic, anticonvulsant, sedative, muscle relaxant
Pindolol (R/S) 0.095 / 0.146   treatment of angina pectoris and hypertension
Pipazetate 0.207   cough suppressant
Pipequaline 0.377 *   anxiolytic drug
Piperidolate (R/S) 0.031 / 0.372 *   antimuscarinic drug
Piperocaine (R/S) 0.297 / 0.334 *   local anesthetic
Pipradrol 0.102   CNS stimulant
Piracetam 0.013   nootropic, dietary supplement: only mild side-effects
Pirbuterol (R/S) 0.092 / 0.021   treatment of asthma
Pirenzepine 0.224   treatment of peptic ulcers
Piretanide 0.093   diuretic
Piribedil 0.332 *   treatment of Parkinson's disease
Pirlindole (R/S) 0.333 / 0.307 *   antidepressant
Pirisudanol 0.065   psychostimulant
Piroheptine (R/S) 0.349 / 0.314 *   treatment of Parkinson's disease
Piroxicam 0.008   NSAID
Pirprofen (R/S) 0.261 / 0.260   NSAID
Pizotifen 0.330 *   treatment of migraine headaches
Pleconaril 0.223   antiviral drug (asthma)
Polythiazide (R/S) 0.415 / 0.146 *   diuretic
Practolol (R/S) 0.105 / 0.165   treatment of cardiac arrhythmias
Pramipexole 0.009   treatment of Parkinson's disease
Pramiracetam 0.000   nootropic: safe compound
Pranoprofen (R/S) 0.257 / 0.423 *   NSAID
Pravadoline 0.416 *   NSAID
Prazepam 0.354 *   anxiolytic, anticonvulsant, sedative
Praziquantel 0.206   anthelmintic effective against flatworms
Prazosin 0.234   antihypertensive: some side effects
Prednicarbate 0.437 *   topical corticosteroid
Prednisolone 0.427 *   active metabolite of Prednisone (treatment of inflammation and AID)
Prednisone 0.419 *   synthetic corticosteroid drug
Pridinol 0.236   muscle relaxant
Prilocaine (R/S) 0.005 / 0.192   local anesthetic
Procarbazine 0.301 *   antienoplastic agent
Prodine (αaxeqaxeq) 0.090 / 0.203 / 0.094 / 0.210   opioid analgesic
Profenamine (R/S) 0.131 / 0.000   treatment of Parkinson's disease
Proguanil 0.177   prophylactic antimalarial drug
Promethazine (R/S) 0.251 / 0.109   antihistamine, antiemetic, sedative
Propafenone (R/S) 0.376 / 0.230 *   anti-arrhythmic medication
Propofol 0.133   anesthesia agent
Propranolol (R/S) 0.121 / 0.120   treatment of hypertension
Propylthiouracil 0.303 *   treatment of hyperthyroidism
Pseudoephedrine 0.149   decongestant
Pyrantel 0.118   antinematodal agent
Pyrithyldione 0.098   hypnotic, sedative
Pyritinol 0.050   treatment of chronically impaired brain function
Pyrovalerone (R/S) 0.225 / 0.031   stimulant drug (fatigue, lethargy); appetite suppressant
Quazepam 0.075   treatment of insomnia
Quinbolone 0.597 ** AR anabolic steroid
Quinethazone (R/S) 0.211 / 0.311 *   treatment of hypertension
Quinestrol 0.527 ** ERβ treatment of breast and prostate cancer
Quinidine 0.235   antiarrhythmic agent
Quinisocaine 0.000   antipruritic agent
Quinpirole 0.060   dopamine D2/D3 receptor agonist
Quipazine 0.263   serotonin receptor agonist (5HT2A,, 5HT3)
Rabeprazole 0.423 *   proton pump inhibitor
Racecadotril (R/S) 0.123 / 0.210   antidiarrheal drug
Raclopride 0.184   neuroleptic (treatment of schizophrenia)
Rafoxanide 0.190   antiparasitic agent
Ramatroban 0.448 *   treatment of coronary artery disease
Ramipril 0.151   treatment of hypertension
Ramosetron 0.400   treatment of nausea an vomiting
Ranitidine 0.045   treatment of peptic ulcer disease
Ranolazine (R/S) 0.221 / 0.273   antianginal medication
Rasagiline 0.106   irreversible MAO inhibitor: safe; possible drug interactions
Razobazam 0.149   produces nootropic effects
Rebamipide (R/S) 0.457 / 0.190 *   treatment of Behçet's disease
Reclazepam 0.436 *   sedative, anxiolytic
Remacemide (R/S) 0.358 / 0.275 *   sodium channel blocker
Remoxipride 0.244   antipsychotic drug
Rentiapril 0.308 *   ACE inhibitor
Renzapride 0.258   treatment of irritable bowel syndrome
Repirinast 0.165   antihistamine
Ribavirin 0.318 *   antiviral drug
Rilmazafone 0.234   sedative, hypnotic
Rilmenidine 0.232   treatment of hypertension
Riluzole 0.194   treatment of amyotrophic lateral sclerosis
Rimantadine (R/S) 0.260 / 0.207   antiviral drug
Rimcazole 0.355 *   anticonvulsant
Rimexolone 0.427 *   treatment of inflammation in the eye
Rimiterol 0.064   third-generation β2 agonist
Rimonabant 0.206   anti-obesity drug (temporarily withdrawn from market)
Ripazepam 0.272   anxiolytic
Risocaine 0.125   local anesthetic
Ritanserin 0.443 *   treatment of schizophrenia
Ritodrine 0.421 *   tocolytic drug
Rivastigmine 0.221   treatment of dementia (Alzheimer and due to Parkinson's disease)
Rizatriptan 0.096   treatment of migraine headaches
Robalzotan 0.258   potential antidepressant
Robenidine 0.137   coccidiostat
Rociverine (R/S) 0.000 / 0.106   antimuscarinic
Roflumilast 0.477 *   treatment of inflammatory diseases of the lungs
Rolicyclidine 0.015   anesthetic, hallucinogenic, sedative
Rolipram (R/S) 0.425 / 0.453 *   NSAID
Rolziracetam 0.125   nootropic drug
Romifidine 0.221   sedative, anesthetic, analgesic (veterinary medicine)
Ronifibrate 0.199   fibrate
Ropinirole 0.018   treatment of Parkinson's disease
Ropivacaine 0.228   local anesthetic
Roquinimex 0.150   immunostimulant
Rosiglitazone (R/S) 0.539 / 0.440 ** PPARγ anti-diabetic drug
Rosoxacin 0.320   treatment of urinary tract infections
Rubitecan 0.128   oral topoisomerase inhibitor (withdrawn)
Rufinamide 0.301 *   anticonvulsant medication
Rupatadine 0.433 *   antihistamine
Salbutamol (R/S) 0.104 / 0.048   treatment of asthma and COPD
Salicylamide 0.080   analgesic and antipyretic properties
Salsalate 0.269   NSAID
Saripidem 0.262   sedative, anxiolytic
Sarmazenil 0.081   anxiogenic, convulsant (veterinary medicine)
Sarpogrelate (R/S) 0.339 / 0.202   treatment of many diseases (e.g. diabetes mellitus)
Secnidazole (R/S) 0.094 / 0.158   anti-infective drug
Selegiline 0.130   treatment of Parkinson's disease, depression and senile dementia
Selfotel 0.356 *   anticonvulsant, anxiolytic, analgesic
Sematilide 0.000   antiarrhythmic agent
Seratrodast (R/S) 0.459 / 0.550 ** TRα treatment of asthma
Sertaconazole (R/S) 0.493 / 0.357 *   antifungal medication
Sertindole 0.000   treatment of schizophrenia
Setastine (R/S) 0.329/ 0.325 *   antihistamine
Setiptiline 0.363 *   antidepressant
Sibutramine (R/S) 0.000 / 0.000   appetite suppressant
Simfibrate 0.289   fibrate
Sivelestat 0.000   treatment of acute respiratory failure
Sofalcone 0.133   oral gastrointestinal medication
Solabegron 0.048   treatment of overactive bladder and irritable bowel syndrome
Sorivudine 0.176   antiviral drug
Sotalol (R/S) 0.177 / 0.008   treatment of cardiac arrhythmias
Spiperone 0.203   antipsychotic drug
Spiradoline 0.101   analgesic, diuretic, antitussive
Spironolactone 0.373   diuretic, antiandrogen
Stavudine 0.224   reverse transcriptase inhibitor
Stepronin (R/S) 0.319 / 0.129 *   mucolytic
Stiripentol (R/S) 0.440 / 0.437 *   treatment of epilepsy
Styramate (R/S) 0.153 / 0.143   muscle relaxant, anticonvulsant
Sulconazole (R/S) 0.430 / 0.408 *   antifungal medication
Sufentanil 0.350 *   opioid analgesic drug
Sulazepam 0.080   sedative, muscle relaxant, hypnotic, anticonvulsant, anxiolytic
Sulbentine 0.045   antifungal agent
Sulfadiazine 0.171   sulfonamide antibiotic
Sulfadimethoxine 0.215   sulfonamide antibiotic
Sulfadimidine 0.051   sulfonamide antibiotic
Sulfadoxine 0.115   ultra-long lasting sulfonamide (malaria)
Sulfafurazole 0.152   sulfonamide antibiotic
Sulfalene 0.098   sulfonamide antibiotic
Sulfamerazine 0.026   sulfonamide antibiotic
Sulfamethizole 0.273   sulfonamide antibiotic
Sulfamethoxypyridazine 0.173   sulfonamide antibiotic
Sulfametomidine 0.055   sulfonamide antibiotic
Sulfametoxydiazine 0.167   sulfonamide antibiotic (leprae, urinary tract infections)
Sulfametrole 0.099   sulfonamide antibiotic
Sulfamoxole 0.072   sulfonamide antibiotic
Sulfaperin 0.102   sulfonamide antibiotic
Sulfaphenazole 0.162   sulfonamide antibiotic
Sulfapyridine 0.237   antibacterial drug
Sulfasalazine 0.205   treatment of inflammatory bowel disease
Sulfathiazole 0.307 *   short-acting sulfa drug
Sulfinpyrazone 0.149   treatment of gout
Sulfisomidine 0.013   sulfonamide antibiotic
Sulforidazine (R/S) 0.450 / 0.000 *   antipsychotic drug
Sulindac 0.278   NSAID for acute or chronic inflammations
Sulpiride (R/S) 0.217 / 0.099   treatment of schizophrenia and depression
Sultiame 0.237   anticonvulsant
Sumatriptan 0.118   treatment of migraine headaches
Suproclone (R/S) 0.000 / 0.000   sedative, anxiolytic
Suprofen (R/S) 0.338 / 0.203 *   NSAID
Suriclone (R/S) 0.152 / 0.157   sedative, anxiolytic
Suritozole 0.017   cognition enhancer (investigational)
Suxibuzone 0.222   treatment of joint and muscular paint
Tacalcitol 0.233   treatment of psoriasis
Tacrine 0.139   treatment of Alzheimer's disease
Talastine 0.239   antihistamine
Talbutal (R/S) 0.424 / 0.455 *   short to intermediate-acting barbiturate
Talipexole 0.110   treatment of Parkinsons's disease
Talopram (R/S) 0.291 / 0.296 *   antidepressant
Tamoxifen 0.223   selective estrogen receptor modulator: carcinogenic, thromboembolism
Tasosartan 0.128   angiotensin II receptor antagonist
Tazarotene 0.333 *   treatment of psoriasis, acne and sun-damaged skin
Teclozan 0.237   antiprotozoal agent
Tedisamil 0.000   antiarrhythmic for atrial fibration and flutter
Tegafur (R/S) 0.356 / 0.363 *   treatment of cancer (prodrug)
Temozolomide 0.091   treatment of astrocytoma (brain tumor)
Tenidap 0.156   NSAID
Tenonitrozole 0.135   antiprotozoal agent
Tenoxicam 0.011   NSAID
Tepoxalin 0.293   NSAID
Terazosin (R/S) 0.165 / 0.245   treatment of hypertension along with BPH
Terbinafine 0.411 *   antifungal drug
Terbutaline (R/S) 0.000 / 0.019   bronchodilator
Terizidone (RR/RS=SR/SS) 0.289 / 0.447 / 0.424 *   treatment of tuberculosis
Terodiline (R/S) 0.355 / 0.375 *   antispasmodic drug used in urology
Tertatolol (R/S) 0.138 / 0.182   treatment of hypertension
Tetrabenazine 0.233   treatment of hyperkinetic movement disorder
Tetracaine 0.103   local anesthetic
Tetrahydrozoline (R/S) 0.132 / 0.112   vasoconstrictor (eye drops, nasal sprays): toxic at over dosage
Tetrazepam 0.243   anxiolytic, muscle relaxant
Thenalidine 0.256   antipuritic drug
Thenyldiamine 0.149   antihistamine
Theodrenaline (R/S) 0.158 / 0.000   cardiac stimulant
Theophylline 0.034   treatment of COPD, Asthma: toxic by interaction with other drugs
Thialbarbital 0.000   sedative drug
Thiamphenicol 0.056   veterinary antibiotic
Thiethylperazine 0.354 *   treatment of nausea and vomiting
Thioacetazone 0.344 *   treatment of tuberculosis
Thiocarlide 0.091   treatment of tuberculosis
Thioguanine 0.050   treatment of cancer (antimetabolite)
Thioridazine (R/S) 0.306 / 0.336 *   treatment of schizophrenia and psychosis
Thonzylamine 0.097   antihistamine, antipuritic
Tiagabine 0.263   anticonvulsive medication
Tianeptine (R/S) 0.216 / 0.296   antidepressant, anxiolytic
Tiapride 0.304 *   neuroleptic agent
Tiaprofenic acid (R/S) 0.416 / 0.310 *   NSAID
Tibolone 0.628 ** ERβ, PR hormone-replacement therapeutic
Ticlatone 0.141   antifungal agent
Ticlopidine 0.077   antiplatelet drug
Tidiacic (RR/RS/SR/SS) 0.171 / 0.406 / 0.161 / 0.320 *   hepatoprotective drug
Tiflorex (R/S) 0.274 / 0.164   appetite suppressant
Tifluadom (R/S) 0.214 / 0.215   analgesic, diuretic, sedative, appetite stimulant
Tilbroquinol 0.266   antiprotozoal agent
Tiletamine (R/S) 0.049 / 0.000   dissociative anesthetic (veterinary medicine)
Tilisolol (R/S) 0.186 / 0.262   treatment of hypertension and angina pectoris
Tilorone 0.000   orally active interferon inducer
Timiperone 0.148   neuroleptic drug
Timolol 0.076   treatment of high blood pressure
Tioconazole (R/S) 0.225 / 0.423 *   antifungal medication
Tipepidine 0.086   cough suppressant
Tiratricol 0.576 ** TRα thyroid hormone analogue
Tirofiban 0.000   antiplatelet drug
Tiropramide (R/S) 0.000 / 0.360 *   antispasmodic
Tisopurine 0.000   treatment of gout
Tixocortol 0.470 *   intestinal anti-inflammatory and decongestant
Tizanidine 0.117   muscle relaxant
Tocainide (R/S) 0.263 / 0.188   antiarrhythmic agent
Tofisopam (R/S) 0.457 / 0.216 *   anxiolytic drug: not approved in US/Canada
Tolazamide 0.218   oral blood-glucose lowering drug (type-2 diabetes)
Tolazoline 0.060   vasodilator; treatment of acrocyanosis
Tolbutamide 0.210   management of type-2 diabetes
Tolcapone 0.114   treatment of Parkinson's disease; hepatotoxic
Tolciclate 0.272   antifungal medication
Tolfenamic acid 0.074   NSAID
Tolmetin 0.111   treatment of arthritis: several side effects; toxic to rats
Tolnaftate 0.248   over-the-counter antifungal agent
Toloxatone (R/S) 0.369 / 0.441 *   antidepressant
Tolperisone (R/S) 0.005 / 0.101   muscle relaxant
Tolpropamine (R/S) 0.311 / 0.243 *   antihistamine used as an antipruritic
Toltrazuril 0.079   coccidiostat
Topotecan 0.000   chemotherapy agent: some side effects
Torasemide 0.167   loop diuretic
Toremifene 0.056   selective estrogen receptor modulator
Tracazolate 0.000   anxiolytic drug
Tramadol 0.053   analgesic
Tramazoline 0.263   nasal preparation
Tranexamic acid 0.390 *   antifibrinolytic agent
Tranilast 0.420   antiallergic drug
Tranylcypromine 0.087   antidepressant
Trapidil 0.000   vasodilator
Trefentanil 0.069   opioid analgesic
Trepibutone 0.031   treatment of gastrointestinal disorders
Trestolone 0.708 *** AR hormonal male contraceptive
Triamcinolone 0.452 *   treatment of rhinoplasy and severe hay fewer
Triamterene 0.098   potassium-sparing diuretic
Triapine 0.178   under investigation for cancer treatment
Triclabendazole 0.410 *   antihelminthic
Trichlormethiazide (R/S) 0.227 / 0.336 *   treatment of edema
Triethylenemelamine 0.000   drug used in chemotherapy
Triflubazam 0.155   sedative, anxiolytic
Trifluoperazine 0.326 *   treatment of schizophrenia
Trifluperidol 0.247   antipsychotic drug (mania, schizophrenia)
Triflupromazine 0.301 *   antipsychotic drug
Trifluridine 0.197   antiviral drug (herpes)
Triflusal 0.280   platelet-aggregation inhibitor
Trihexyphenidyl (R/S) 0.026 / 0.000   antiparkinsonian drug
Trilostane 0.543 ** ERα treatment of Cushing's syndrome
Trimazosin 0.264   sympatholytic drug
Trimebutine (R/S) 0.350 / 0.359 *   antimuscarinic
Trimecaine 0.000   local anesthetic
Trimetazidine 0.179   treatment of angina pectoris
Trimethadione 0.041   anticonvulsant
Trimethobenzamide 0.189   antiemetic (prevention of nausea and vomiting)
Trimetozine 0.201   anxiolytic drug
Trimetrexate 0.107   treatment of pneumocystis pneumonia
Tripelennamine 0.275   antipruritic and antihistamine
Triprolidine 0.350 *   over-the-counter antihistamine
Tritoqualine (RR/RS/SR/SS) 0.369 / 0.213 / 0.429 / 0.471 *   antihistamine
Tropatepine 0.329 *   anti-parkinson drug
Tropicamide (R/S) 0.098 / 0.132   parasympatholytic (used for eye examinations)
Troxipide (R/S) 0.092 / 0.180   treatment of gastroesophageal reflux disease
Tulobuterol (R/S) 0.128 / 0.112   β2-adrenergic receptor agonist
Ufenamate 0.005   topical analgesic
Uldazepam 0.268   sedative, anxiolytic
Ulobetasol 0.448 *   corticosteroid
Uramustine 0.169   chemotherapeutic drug
Urapidil 0.099   sympatholytic drug
Valdecoxib 0.408 *   treatment of osteoarthritis and rheumatoid arthritis
Valnoctamide (RR/RS/SR/SS) 0.145 / 0.124 / 0.092 / 0.000   sedative, hypnotic
Valofane (RR/RS/SR/SS) 0.151 / 0.336 / 0.042 / 0.037 *   sedative drug
Valproic acid 0.039   anticonvulsant
Valpromide 0.083   treatment of epilepsy
Valsartan 0.041   treatment of hypertension
Vanoxerine 0.310 *   treatment of cocaine dependence
Varenicline 0.254   treatment of smoking addiction
Vedaclidine (R/S) 0.153 / 0.209   analgesic drug
Vernakalant 0.218   investigational drug (atrial fibrillation)
Vesnarinone 0.371 *   cardiotonic agent
Vigabatrin (R/S) 0.291 / 0.413 *   anticonvulsant
Viloxazine (R/S) 0.145 / 0.156   antidepressant
Viminol (six isomers) 0.044–0.227   opioid analgesic
Vinburnine 0.056   vasodilator
Vinconate 0.095   nootropic
Vinpocetine 0.262   nootropic, neuroprotective: no adverse reactions reported
Voglibose 0.000   treatment of diabetes mellitus
Voriconazole 0.001   antifungal medication
Vorinostat 0.323 *   treatment of cutaneous T cell lymphoma
Vorozole (R/S) 0.000 / 0.082   antienoplastic agent
Xaliproden 0.340 *   treatment of Alzheimer's disease
Xamoterol (R/S) 0.111 / 0.185   cardiac stimulant
Xanomeline 0.151   nasal decongestant
Xipamide 0.206   diuretic drug
Xorphanol 0.396 *   opioid analgesic
Xylazine 0.252   sedative, anesthetic, muscle relaxant, analgesic (veterinary medicine)
Xylometazoline 0.181   treatment of Alzheimer's disease and schizophrenia
Zacopride (R/S) 0.169 / 0.230   anxiolytic, nootropic, antiemetic
Zalcitabine 0.130   reverse transcriptase inhibitor
Zaleplon 0.339 *   sedative, hypnotic
Zalospirone 0.040   antidepressant
Zanamivir 0.109   neuroamidase inhibitor
Zapizolam 0.318 *   sedative, anxiolytic
Zatosetron 0.000   antinauseant, anxiolytic
Zidovudine 0.171   treatment of HIV
Zileuton (R/S) 0.275 / 0.116   treatment of asthma
Zinterol (R/S) 0.000 / 0.000   β-adrenergic agonist
Ziprasidone 0.109   atypical antipsychotic drug
Zofenopril 0.172   treatment of hypertension
Zolazepam 0.143   veterinary anesthetic
Zolmitriptan 0.157   treatment of migraine
Zolpidem 0.202   treatment of insomnia; anticonvulsant, muscle relaxant
Zomepirac 0.392 *   antipyretic (withdrawn from market)
Zonisamide 0.217   anticonvulsant
Zopiclone (R/S) 0.284 / 0.197   treatment of insomnia
Zotepine 0.272   treatment of schizophrenia
Zuclopenthixol 0.000   antipsychotic neuroleptic drug
Zylofuramine 0.059   appetite suppressant (never marketed)


9. Vitamins

Compound Weighted toxic potential wTP class Main target Comments
Vitamin A 0.631 ** AhR retinoid: acute and liver toxicity at high doses
Vitamin B2 0.173   riboflavin: not orally toxic
Vitamin B3 0.232   nicotinic acid: low toxicity at pharmacological doses
Vitamin B5 0.517 ** PPARγ pantothenic acid: unlikely toxic
Vitamin B6 0.058   cofactor: safe at dosages less than 200 mg/day
Vitamin B9 0.145   folic acid: not toxic
Vitamin C 0.311 *   L-ascorbate: not toxic
Vitamin D2 0.638 ** GR ergocalciferol: conflicting toxicity data
Vitamin D3 0.545 ** AhR cholecalciferol: toxic at high over dosage
Vitamin E 0.288   fat-soluble antioxidant: toxic effects only at high dosage
Vitamin H (B7) 0.385 *   biotin: no adverse effects reported
Vitamin L 0.474 *   anthranilic acid


10. Natural Compounds

Compound Weighted toxic potential wTP class Main target Comments
Abietic acid 0.305 *   resin acid
Abscisic acid 0.214   plant hormone
Acanthoic acid 0.279   natural COX-2 inhibitor (Rollina pitteri)
Adenine 0.047   purine base
Adrenaline 0.136 *   neurotransmitter
Aflatoxin (B1/M1) 0.535 / 0.287 ** AhR mycotoxin: extremely carcinogenic
Aloin (A/B) 0.156 / 0.115   naturally occurring bittering agent
Alternariol 0.464 *   toxic metabolite of Alternaria fungi
Anatoxin-a 0.202   cyanotoxin: acute neurotoxicity
Androsterone 0.456 *   steroid hormone
Anethole 0.314 *   aromatic compound (anise, fennel)
Angelicin 0.469 *   furocoumarin produced by a variety of plants
Anisaldehyde 0.270   found in anise
Anisomycin 0.251   antibioitic produced by Streptomyces griseolus
Anthraquinone 0.211   anthracene derivative (aloe, henna, rhubarb)
Apigenin 0.574 ** ERβ flavone (parsley, celery)
Apiol 0.194   compound found in celery and parsley
Arecoline 0.232   alkaloid found in the areca nut (Areca catechu)
Artemisinin 0.289   sesquiterpene lactone (Artemisia annua)
Asarone 0.338 *   ether found in acorus and asarum
Asparagusic acid 0.245   metabolic precursor of odorous thiols (asparagus)
Auxin 0.139   phytohormone
Azealic acid 0.399 *   saturated dicarboxylic acid (wheat, rye, barley)
Betulin 0.434 *   naturally occurring triterpene (bark of birch tree)
Betulinic acid 0.390 *   naturally occurring triterpene (bark of birch tree)
Biopterin (1R,2S) 0.148   coenzyme
Boswellic acid (α/β) 0.231 / 0.000   pentacyclic triterpene found in Boswellia serrata
Brassinolide 0.359 *   plant steroid
Brazilin 0.476 *   red pigment (brazilwood family)
Bulbocapnine 0.064   alkaloid found in Corydalis and Dicentra
Cadinene (α/β/γ) 0.344 / 0.325 / 0.342 *   bicyclic sesquiterpene from essential oil-producing plants
Cafestol 0.772 *** ERα diterpene present in coffee
Caffeic acid 0.227   naturally occurring carcinogenic inhibitor
Caffeine 0.058   stimulant: side effects at high dosage
Camphor 0.192   terpenoid found in wood of the camphor laurel
Camphoric acid (R,S) 0.370 *   oxidized form of camphor
Camptothecin 0.308 *   quinoline alkaloid found in Camptotheca acuminata
Cannabicyclol 0.495 *   non-psychoactive cannabinoid found in Cannabis sativa
Cannabidiol 0.174   psychoactive cannabinoid found in Cannabis sativa
Cannabidivarin 0.242   non-psychoactive cannabinoid found in Cannabis sativa
Cannabinol 0.097   non-psychoactive cannabinoid found in Cannabis sativa
Cannabivarin 0.434 *   non-psychoactive cannabinoid found in Cannabis sativa
Cantharidin 0.178   poisonous blister beetle secret
Capsaicin 0.282   active compound of chili pepper
Carene 0.168   monoterpene constituent of turpentine
Carminic acid 0.059   hydroxianthrapurin (occurs in some scale insects)
Carvacrol 0.346 *   monoterpenoid phenol (oregano)
Carvone (R/S) 0.278 / 0.245   terpenoid found in many essential oils
Catechol 0.212   catechin distillate
Cathine 0.161   monoamine alkaloid (Catha edulis)
Cathinone 0.323 *   monoamine alkaloid (Catha edulis)
Chenodeoxycholic acid 0.421 *   bile acid
4-Chloroindole-3-acetic acid 0.223   plant hormone
Cholesterol 0.719 *** ERα required to build and maintain cell membranes
Chorismic acid 0.342 *   biochemical intermediate in plants and microorganisms
Chrysin 0.348 *   natural flavone (passion flower)
Cinchonine 0.140   alkaloid
Cinnamaldehyde 0.145   cinnamon flavor: low toxicity
Cinnamic acid 0.319 *   obtained from oil of cinnamon
Cinnamyl alcohol 0.180   present in cinnamon leaves
Citral (A/B) 0.232 / 0.295   present in lemon myrtle and several other plants
Citric acid 0.134   citrus and other fruits, vegetables
Citrulline (R/S) 0.235 / 0.296   rind of watermelon
Citrinin 0.218   mycotoxin
Codeine 0.171   opium alkaloid
Colchicine 0.498 *   highly poisonous natural product
Combretastatin A-4 0.516 ** ERα natural stilbenoid phenol (Combretum caffrum)
Conessine 0.196   steroid alkaloid (Apocynaceae family)
Coniine 0.098   alkaloid found in poison hemlock
p-Coumaric acid 0.262   cinnamic-acid derivative (peanut, carrot, garlic)
Coumarin 0.341 *   plant toxin
Cubebol 0.316 *   sesquiterpene alcohol found in cubeb oil
Cuminaldehyde 0.445 *   found in eucalyptus, nyrrh, cassia, cumin
Curcumin 0.343 *   principal curcuminoid in turmeric (ginger family)
Cuscohygrine 0.007   pyrrolidine alkaloid found in coca
Cyclopamine 0.312 *   alkaloid: teratogen
Cyclopiazonic acid 0.321 *   fungal secondary metabolite
Cytisine 0.208   alkaloid found in several Faboideae species
Cytokinin 0.055   plant hormone
Desoxycorticosterone 0.668 ** MR mineralocorticoid excreted from the adrenal gland
Digalloylgallic acid 0.080   polyphenolic carbonic acid
Digoxigenin 0.384 *   steroid found in Digitalis purpurea
Dihydroactinidiolide 0.103   volatile terpene (black tea, mango, tobacco)
1,8-Dihydroxyanthrachinone 0.252   anthraglycoside (emodine)
1,8-Dihydroxyanthrone 0.285   anthraglycoside (emodine)
Daidzein 0.664 ** ERβ isoflavone found in plants and herbs (e.g. soybean)
Dillapiole 0.259   essential oil found in dill weed
Dimethyltryptamine 0.220   naturally occurring tryptamine; potent psychedelic drug
Diosgenin 0.542 ** MR steroid sapogenin (Dioscorea wild yam)
Domoic acid 0.067   neurotoxin (red algeae)
Ectocarpene 0.189   pheromone (brown algeae)
Ectoine 0.367 *   protective substance in bacterial cells
Elemicin 0.237   essential oil of nutmeg
Ellagic acid 0.280   polyphenol antioxidant (fruits, vegetables)
Epibatidine 0.018   poisonous frog alkaloid
Epicatechine 0.470 *   flavonoid (tea)
Epigallocatechine 0.701 *** ERα flavonoid (tea)
Epinephrine 0.102   neurotransmitter
Epitestosterone 0.410 *   natural steroid
Equilenin 0.672 ** ERα horse steroid
Equilin 0.673 ** ERα horse steroid
Equol 0.564 ** ERβ isoflavandiol
Erdacin 0.148   highly active antioxidant
Ergine 0.354 *   alkaloid of the ergoline family
Ergotamine 0.097   alkaloid of the ergot family
Estragole 0.283   found in tarragon, basil, pine oil, fennel, anise
Estriol 0.766 *** ERα female sex hormone
Estrone 0.715 *** ERα estrogenic hormone secreted by the ovary
Etorphine 0.138   semi-synthetic opioid (poppy straw; Papaver orientale, bracteatum)
Eucalyptol 0.030   monoterpenoid found in Eucalyptus oil
Evodiamine 0.389 *   chemical extracted from the Evoida plant family
Fenchone 0.191   organic compound present in the oils of fennel
Ferruginol 0.534 ** ERβ diterpene (Sequoica semperivirens)
Ferujol 0.604 ** ERα coumarin (Ferula jaschkeana
Ferulic acid 0.430 *   phenolic phytochemical
Flavin 0.198 *   riboflavin derivative
Forskolin 0.027   labdana diterpene (Coleus forsohili)
Gallic acid 0.442 *   organic acid (gallnuts, witch hazel, tea leaves)
Genipin 0.295   active compound in gardenia fruit (→ TCM)
Geosmin 0.294   organic compound (earthy taste) found in beets
Geranic acid 0.178   pheromone
Gestonorone 0.396 *   progestagen hormone
Gingerol 0.478 *   active constituent of fresh ginger
Gliotoxin 0.299 *   antibiotic produced by several species of fungi
Glucuronolactone 0.181   glucose metabolite in the liver: low acute toxicity
L-Glutamic acid 0.376 *   swift excitatory neurotransmitter
Glycyrrhetinic acid 0.414 *   triterpenoid (Licorice plant)
Glycyrrhizol A 0.284   flavonoid (roots of the Chinese Licorice plant)
Guaiacol 0.342 *   aromatic oil from guaiacum or wood cresote
Guaiazulene 0.350 *   sesquiterpene (oil from guaiac and camomile)
Guanacastepene A 0.357 *   diterpene (extracted from a Costa Rica fungus)
Gyromitrin 0.082   chemical present in Gyromithra mushrooms: possibly cancerogenic
Haematoxylin 0.365 *   black pigment (logwood tree)
Harmaline 0.299   psychoactive indole alkaloid
Harmane 0.278   indole alkaloid
Harmine 0.395 *   indole alkaloid: cytotoxic
Hasubanan 0.131   alkaloid (Stephania longa)
Hasubanonine 0.404 *   alkaloid of the hasubanan family
Hesperetin 0.384 *   bioflavonoid found in Citrus fruits
Hippuric acid 0.411 *   carboxylic acid found in the urine of horses
Hippuristanol 0.440 *   molecule found in the coral Isis hippunis
Histamine 0.155   neurotransmitter
L-Histidine 0.259   amino acid (essential for children)
Homogentisic acid 0.278   metabolic breakdown product of Phe and Tyr
Honokiol 0.481 *   biphenolic compound found in Magnolia grandifloris
Hordenine 0.075   alkaloid of the Cactacaea family
Hydrastatine (R/S) 0.325 / 0.268 *   alkaloid found in Hydrastis canadensis
Hygrine 0.061   pyrrolidine alkaloid (coca leaves)
Hyperforin 0.247   active constituent of Saint John's wort
Hypericin 0.066   active constituent of Saint John's wort
Hypoglycin 0.151   organic compound found un Blighia sapida
Ibogaine 0.278   psychoactive compound found in Tabermanthe iboga
Ibotenic acid 0.442 *   neurotoxin (mushrooms)
Indole 0.164   degradation product of tryptophan
Indole-3-acetic acid 0.121   phytohormone (auxin)
Indole-3-carbinol 0.382 *   found in criuferous vegetables; potentially anticarcinogenic
Inosinic acid 0.104   nucleotide present in muscle and other tissues
myo-Inositol 0.163   structural basis for secondary messengers
Ionone (α/β/γ) 0.049 / 0.233 / 0.231   aroma compounds found in a variety of essential oils
Isatin 0.233   indole derivative found in many plants
Jasmone 0.291   natural organic compound (jasmine flower)
Kainic acid 0.458 *   marine acid present in some seaweed
Khellin 0.294   vasodilator found in Ammi visnaga used by Egyptian folk medicine
Kojic acid 0.384 *   chelation agent produced by Aspergillus oryzae
Linamarin 0.378 *   cyanogenic glucoside (e.g. lima beans, flax)
Lipoic acid 0.237   essential cofactor for many enzymes
Lobeline (R/S) 0.144 / 0.173   natural alkaloid found in various Lobelia species
Longifolene 0.254   sesquiterpene found in pine resins
Lotaustralin 0.384 *   cyanogenic glucoside (e.g. lima beans, roseroot)
Luciferin 0.255   bioluminescent (firefly)
Lupinine 0.000   alkaloid present in Leguminosae plants
Luteolin 0.470 *   natural flavone (celery, green pepper, perilla and camomile tea)
Lysergol 0.382 *   ergoline alkaloid found in fungi
Macromerine (R/S) 0.243 / 0.160   psychoactive compound from Coryphanta macromeris
Melatonin 0.135   naturally occurring hormone
Menadiol 0.266   vitamin K3 derivative
Menthol (1R,2S,5R) 0.108   found in mint oils
β-Methylamino-L-alanine 0.208   neurotoxin (cycad seeds)
β-Methylphenethylamine 0.142   amphetamine-related compound found in many Acacia species
Mimosine 0.260   alkaloid found in Mimosa species
Mitomycin 0.101   lavendulea extract
Moronic acid 0.328 *   triterpene found in sumac plants
Muscimol 0.049   psychoactive alkaloid (mushrooms)
Naringenin 0.549 ** ERβ flavonoid (grapefruit juice): inhibits CYP 1A2
Nicotinamide 0.125   amide of vitamin B3
N-Nitrosonornicotine 0.048   nitrosamine found in tobacco: carcinogen
Nonivamide 0.419 *   capsaicinoid present in chili peppers
Nootkatone 0.309 *   sesquiterpene aromatic of grapefruit
Norepinephrine 0.036   hormone and neurotransmitter
Norpatchoulenol 0.031   terpenoid found in patchouli oil
Noscapine 0.292   benzoisoquinoline alkaloid (Papaveraceae plants)
Novobiocin 0.000   aminocoumarin antibiotic (Streptomyces niveus)
Nuciferine 0.345 *   alkaloid found in Nymphaea caerulea
Octopamine (R/S) 0.003 / 0.229   biogenic amine found in salivar glands of the octopus
Orcin 0.211   found in many lichens
L-Ornithine 0.260   amino acid
Orotic acid 0.187   historically vitamin B13
Orselinic acid 0.480 *   organic acid found in lychens
Papaverine 0.525 ** GR alkaloid found in poppy
Paraxanthine 0.129   caffeine metabolite (in animals)
Parietin 0.277   cortical pigment of lichens
Patulin (R/S) 0.215 / 0.225   mycotocin: genotoxic; restricted use in several countries
Paxilline 0.000   toxic, tremorgenic indole alkaloid
Perillaldehyde 0.431 *   monoterpenoid found in perilla herb
2-Phenethylamine 0.189   monoamine alkaloid found e.g. in chocolate
Phenylacetic acid 0.169   active auxin found in fruits
L-Phenylalanine 0.269   natural amino acid
Physostigmine 0.300   cholinesterase inhibitor alkaloid
Plumbagin 0.605 ** ERα naphtoquinone found in the plant genus Plumbago
Podocarpic acid 0.321 *   terpene found in the podocarp fruit
Podocarpinol 0.396 *   terpene found in the podocarp fruit
Progesterone 0.472 *   steroid hormone
Psilocin 0.098   hallucinogenic mushroom alkaloid
Psilocybin 0.211   hallucinogenic found in psilocybin mushrooms
Psoralen 0.437 *   furocoumarin
Pterin 0.061   heterocyclic compound found in butterfly pigments
Pterostilbene 0.656 ** ERα stilbenoid found in blueberries and grapes
Pulegone 0.094   flavorant found in the essential oils of plants
Purpurin 0.300   dye found in the roots of Rubia tinctorum
Pyridoxine 0.193   Pyridoxol: vitamin B6-related related
Pyroglutamic acid (R/S) 0.199 / 0.219   uncommon amino acid
Quinic acid 0.359 *   crystalline acid obtained from cinchona bark and coffee beans
Raspberry ketone 0.255   primary aroma compound of red raspberries
Resveratrol 0.536 ** ERβ phytoalexin
Retronecine 0.048   pyrrolizidine alkaloid
Rosaceae acid (E/Z) 0.283 / 0.304 *   cucurbitan derivative (Alnus acuminata)
Rosmarinic acid 0.210   antioxidant found in many Lamiaceae herbs
Rotenone 0.399 *   naturally occurring insecticide, piscicide, pesticide
Rutaecarpine 0.245   alkaloid found in Evodia rutaecarpa
Rutin 0.000    
Safranal 0.233   aroma compound of saffron
Safrole 0.321 *   sassafras plant extract
Salicylic acid 0.345 *   plant hormone
Salvinorin A 0.355 *   psychotropic component of Salvia divinorum
Samandaridine 0.372 *   toxic alkaloid produced by salamanders
Scoulerine 0.369 *   alkaloid found in opium poppy
Serotonin 0.182   neurotransmitter
Sesamol 0.253   phenolic component of sesame oil
Shikimic acid 0.432 *   biochemical intermediate in plants
Silibinin 0.299   main active constituent of silymarin (Silybum marianum)
Sinapinic acid 0.341 *   phenylpropanoid found in L. Sinapi
β-Sitosterol 0.668 ** ERα phytosterol found in many plants, e.g. black cumin seed
Sparteine 0.000   alkaloid (scotch broom, Lupinus mutabilis); antiarrhythmic agent
Spectinomycin 0.118   naturally occuring antibiotic (Streptomyces achromogenes)
Sterigmatocystin 0.561 ** ERβ dermatoxin poison
Streptozotocin 0.356 *   aminocyclitol antibiotic (Streptomyces spectabilis)
Strychnine 0.199   alkaloid pesticide
Tangeritin 0.641 ** ERβ polymethoxylated flavone (tangerine, citrus peels)
Taurine 0.000   major bile constituent
Tetrahydrobiopterin 0.095   essential cofactor to aromatic hydroxylases
Tetrodotoxin 0.143   neurotoxin: slightly toxic to mice
Theobromine 0.040   bitter alkaloid (cacao plant)
Thymol 0.166   monoterpene phenol (thyme oil)
L-Thyroxine 0.390 *   thyroid hormone
Trioxsalen 0.297   furanocoumarin (Psoralea corylifolia)
Umbelliferone 0.366 *   widespread product of the coumarin family
Ursodiol 0.328 *   secondary bile acid
Usnic acid 0.204   dibenzofuran derivative found in lichen
Vanillin 0.366 *   primary component of vanilla bean extract
Vincamine 0.196   indole alkaloid (Vinva minor); peripheral vasodilator
Visnadine 0.150   natural vasodilator isolated from bishop's weed (Ammi visnaga)
Vomitoxin 0.211 *   mycotoxin
Xanthopterin 0.278   inhibits growth of lymphocytes
Xantocillin 0.771 *** ERα naturally occurring isocyanide (first isolated from Penicillum notatum)
Zingiberene 0.286   sesquiterpene (oil of ginger)


11. Cosmetic Chemicals4

Compound Weighted toxic potential wTP class Main target Comments
Acetaminosalol 0.444 *   UV absorber
Ambrox 0.315 *   perfume odorant
Avobenzone 0.179   sunscreen
Benzalphtalide 0.468 *   UV absorber
Benzophenone 0.225   UV absorber in perfumes and soaps: not mutagenic
Benzophenone-1 0.452 *   UV absorber
Benzophenone-2 0.229   UV absorber
Benzophenone-3 0.455 *   UV absorber
Benzophenone-4 0.262   UV absorber
Benzophenone-5 0.255   UV absorber
Benzophenone-6 0.184   UV absorber
Benzophenone-7 0.290   UV absorber
Benzophenone-8 0.383 *   UV absorber
Benzophenone-9 0.163   UV absorber
Benzophenone-10 0.312 *   UV absorber
Benzophenone-11 (R=H/CH3) 0.277 / 0.376 *   UV absorber
Benzophenone-12 0.383 *   UV absorber
Benzylbenzoate 0.320 *   food additive in artificial flavors: may cause allergies
Benzylsalicylate 0.449 *   cosmetic ingredient: low acute toxicity; possibly nephrotoxic
Bornelone (keto/enol) 0.417 / 0.445 *   UV absorber
2-Bromo-2-nitropropane-1,3-diol 0.088   antimicrobial chemical agent: restricted use in Canada
Bumetrizole 0.325 *   UV absorber
Citronellol 0.136   perfumes, insect repellant (FDA: safe compound)
Diazolidinylurea (R/S) 0.077 / 0.140   amine dialcohol: carcinogen; allergic reactions: carcinogen
Dibenzoxazinylnaphtalene 0.320   UV absorber
Dibenzylideneacetone 0.414 *   UV absorber
Diethanolamine 0.163   amine dialcohol: inhibits fetal brain development in mice
Diisopropylethylcinnamate 0.209   UV absorber
Diisopropylmethylcinnamate 0.257   UV absorber
Dimorpholinopyridazinone 0.280   UV absorber
Diphenylpiperazinylbenzimidazole 0.354 *   UV absorber
1,4-Dioxane 0.029   aprotic solvent: eye and respiratory tract irritant
2,6-di-tert-butyl-4-methylphenol 0.093   banned for food use in Japan, Sweden, Australia and US
Di-tert-butylhydroxybenzylidene camphor (1R,4S/1S,4R) 0.348 / 0.322 *   UV absorber
Drometrizole 0.265 *   UV absorber
4-Ethylamino-3-nitrobenzoic acid 0.393 *   UV absorber
Ethylcinnamate 0.198   UV absorber
Ethylmethoxycinnamate 0.383 *   UV absorber
Ethylurocanate 0.113   UV absorber
Eugenol 0.309 *   perfume odorant: over dosage causes various side effects
Evernyl 0.272   perfume odorant
Farnesol 0.507 ** ERβ perfume additive
Firsantol 0.489 *   perfume odorant
Galaxolide (RR/RS/SR/SS) 0.501 / 0.465 / 0.441 / 0.563 ** ERα / ERβ synthetic musk fragrance
Georgywood 0.311 *   perfume odorant
Geraniol 0.374 *   perfume odorant
Hedione 0.140   perfume odorant
Hydantoin 0.031   cosmetic chemical
Isoeugenol 0.333 *   perfume odorant
4-Isopropylbenzylsalicylate 0.555 ** ERβ UV absorber
Linalool (R/S) 0.201 / 0.273   soap, shampoo and lotion scent
4-Methylbenzylidenecamphor-sulfonic acid (1S,4R/1R,4S) 0.200 / 0.122   UV absorber
6-Methylcoumarin 0.249   perfume odorant
7-Methylcoumarin 0.407 *   perfume odorant
Moxalone 0.334 *   perfume odorant
Musk ketone 0.338 *   synthetic musk fragrance
Musk xylene 0.513 ** PR synthetic musk fragrance
Octrizole 0.434 *   UV absorber
Oxobenzoxazinylnaphtalene sulfonanilide 0.269   UV absorber
Panthenol 0.032   humectant, emolient, moisturizer: not toxic in rats
Propyleneglycol (R/S) 0.142 / 0.139   moisturizer: not carcinogenic or genotoxic
2-tert-butyl-4-hydroxianisole 0.292   antioxidant
3-tert-butyl-4-hydroxianisole 0.284   antioxidant
tert-butyl-methoxydibenzomethane 0.293   UV absorber
Tropional (R/S) 0.340 / 0.365 *   perfume odorant
4 Other cosmetic chemicals are listed in class 1.


12. Various Chemicals

Compound Weighted toxic potential wTP class Main target Comments
Acenaphthene 0.233   PAH: not carcinogenic
Acenaphthoquinone 0.496 *   PAH: carcinogenic properties unclear
Acenaphthylene 0.242   PAH
Acetanilide 0.171   industrial chemical
2-Acetylaminofluorene 0.500 *   carcinogenic, mutagenic
2-Acetylamino-3,7,8-trichlorodibenzo-p-dioxin 0.518 ** AhR suspected hazardous pollutant
Acibenzolar 0.058   fungicide
Acridine 0.268    
Acridine orange 0.170   fluorescent dye
Acridine yellow 0.151   fluorescent dye
Adamantane 0.062    
Adrenochrome (R/S) 0.314 / 0.342   pigment; hemeostatic properties
5-Aldoellipticine 0.398 *    
Aldrin 0.257   insecticide
Alizarin 0.522 ** ERα antraquinone dye: not highly toxic
Amidol 0.241   photographic developer
3'-Amino-α-naphthoflavone 0.558 ** ERβ  
4-Aminobenzoic acid 0.277   PABA; essential nutrient for some bacteria
4-Aminobiphenyl 0.273   azo dye
1-Amino-9-methoxyellipticine 0.406 *    
4-Amino-2-methyl-1-naphthol 0.270   vitamin K3 derivative
Aminothiazole 0.105   chemical intermediate with antibacterial activity
3-Amino-1,2,4-triazole 0.174   triazole herbicide
2-Amino-3,7,8-trichlorodibenzo-p-dioxin 0.417 *   suspected hazardous pollutant
7-Amino-2,3-dichlorodibenzo-p-dioxin 0.343 *   suspected hazardous pollutant
Anisoylchloride (o/m/p) 0.339 / 0.347 / 0.206 *   acyl halide
Anthrone 0.260   tricyclic aromatic hydrocarbon
Atrazine 0.202   herbicide: teratogen in frogs; endocrine disruptor
Auramine O 0.200   diarylmethane dye
Aurin 0.607 ** ERβ pH indicator
Azobenzene 0.000   historically used as dye
3-Azo-5,11-diketoellipticine 0.387 *    
3-Azoellipticine 0.157    
4-Azo-8-methoxyellipticine 0.514 ** AhR  
Azulene 0.187   monoterpene (isomer of naphtalene)
Benomyl 0.443 *   fungicide
Benzanthrone 0.432 *   aromatic hydrocarbon (dyestuff)
Benzidine 0.273   carcinogenic aromatic amine
Benzilic acid 0.204    
Benzo[c]cinnoline 0.220   tricyclic aromatic compound
Benzo[a]fluorene 0.428 *   suspected hazardous pollutant
Benzo[b]fluorene 0.413 *   suspected hazardous pollutant
Benzoic acid 0.088   food preservative
Benzoin (R/S) 0.274 / 0.432 *   desyl alcohol
Benzothiadiazine 0.037   industrial chemical
Benzothiazole 0.000   industrial chemical
Benzotriazole 0.2118   corrosion inhibitor, aircraft deicer
Benzoylchloride 0.129   chemical intermediate
Benzoylperoxide 0.403 *   radical initiator
Benzylbutylphthalate 0.382 *   plasticizer
Benzylideneacetone 0.219   α,β-unsaturated ketone
Bifenthrin (R/S) 0.525 / 0.643 ** GR / AR insecticide
2,2'-Bipyridine 0.011   transition-metal chelator
1,8-Bis(dimethylamino)naphthalene 0.302 *   highly basic diamine
Bis(2-ethylhexyl)phthalate (RR/RS/SR/SS) 0.264 / 0.246 / 0.338 / 0.157 *   plasticizer
Bismarck brown Y 0.000   diazo dye used for tissue staining
Bisphenol-AF5 0.424 *   polymer additive
Bisphenol-AP 0.632 ** ERβ polymer additive
Bisphenol-BP 0.746 *** ERα polymer additive
Bisphenol-C 0.526 ** ERβ polymer additive
Bisphenol-D 0.589 ** ERβ polymer additive
Bisphenol-E 0.458 *   polymer additive
Bisphenol-F 0.462 *   skin, eye and respiratory irritant
Bisphenol-FL 0.456 *   polymer additive
Bisphenol-G 0.427 *   polymer additive
Bisphenol-M 0.638 ** ERβ polymer additive
Bisphenol-P 0.397 *   polymer additive
Bisphenol-PH 0.549 ** GR polymer additive
Bisphenol-S 0.396 *   polymer additive
Bisphenol-T (R/S) 0.548 / 0.509 ** ERβ polymer additive
Bisphenol-Z 0.518 ** ERβ polymer additive
Bromocresol purple 0.224   pH indicator
Bromophenol blue 0.221   pH indicator, color marker dye
7-Bromo-2,3-dichlorodibenzo-p-dioxin 0.534 ** AhR suspected hazardous pollutant
8-Bromo-2,3-dichlorodibenzofuran 0.471 *   suspected hazardous pollutant
8-Bromomethyl-2,3,4-trichlorodibenzofuran 0.542 ** AhR suspected hazardous pollutant
8-Bromo-2,3,4-trichlorodibenzofuran 0.486 *   suspected hazardous pollutant
2-Bromo-3,7,8-trichlorodibenzo-p-dioxin 0.606 ** AhR suspected hazardous pollutant
Butyrophenone 0.257   aromatic ketone
Calcein (open form/hemi-acetal) 0.180 / 0.000   fluorescent dye
Camphene 0.105   bicyclic monoterpene
Caprolactam 0.126   organic monomer (nylon-6)
Carbaryl 0.118   insecticide: toxic (cholinesterase inhibitor)
Carbazole 0.355 *   antrachinone dye
β-Carboline 0.306 *   organic amine
Chinizarine 0.246   antrachinone dye
Chlordane 0.346 *   insecticide
4-Chloroaniline 0.129   chlorinated derivative of aniline
Chlorobenzene 0.046   aromatic organic compound
1-Chlorodibenzo-p-dioxin 0.361 *   suspected hazardous pollutant
2-Chlorodibenzofuran 0.314 *   suspected hazardous pollutant
3-Chlorodibenzofuran 0.295   suspected hazardous pollutant
8-Chlorotheophylline 0.000   xanthine derivative (stimulant properties)
2-Chloro-4-biphenylol 0.437 *   fungicide
4-Chlorodibenzofuran 0.308 *   suspected hazardous pollutant
p-Chlorocresol 0.192   antiseptic, preservative agent
Chlorphenol red 0.211   pH indicator
Chloroxylenol 0.331 *   antibacterial agent (soaps)
Chlorpyrifos 0.366 *   organophosphate insecticide
Chlorquinaldol 0.216   antiseptic, disinfectant
Chlortoluron 0.223   herbicide
Chromotropic acid 0.029   analytical agent (dye)
Cinnoline 0.119   aromatic heterocyclic compound
Cinoxate 0.421 *   ingredient of sunscreens
Clofibric acid 0.399 *   herbicide
Coronene 0.674 ** AhR PAH, occurs in carpathite
Cotinine 0.303 *   nicotine metabolite
Coumaphos 0.330 *   ectoparasitizide
Cubane 0.000   synthetic hydrocarbon
2-Cyano-3,7,8-trichlorodibenzo-p-dioxin 0.586 ** AhR suspected hazardous pollutant
7-Cyano-2,3-dichlorodibenzo-p-dioxin 0.519 ** AhR suspected hazardous pollutant
Cyanuric acid 0.096   triazine (bleaches, disinfectants, herbicides)
Cyanuric chloride 0.080   trimer of cyanogen chloride
Cyclohexenone 0.068   versatile organic intermediate
Cyclohexylamine 0.077   organic chemical
Cyclohexylnitrite 0.454 *   chemical with antianginal properties
Cyclonite (RDX) 0.000   explosive nitroamine
Cypermethrin (cis/trans) 0.497 / 0.349 *   primarily used as an insecticide
DABCO (1,4,diazabicyclo[2.2.2]octane) 0.127   chemical catalyst
Dantron 0.266   anthraquinone derivative
DAPI (4'6-diamino-2-phenylindole) 0.164   fluorescent stain
2-Deazo-5,11-diketoellipticine 0.124    
2-Deazoellipticine 0.270    
Decabromodiphenylether 0.690 ** AhR brominated flame retardant
N,N-Diethyl-meta-toluamide (DEET) 0.258   active ingredient in insect repellants
Dehydroacetic acid 0.128   fungicide, bactericide
Dehydrocholic acid 0.487 *   synthetic bile acid
7,8-Dehydrorutaecarpine 0.385 *    
Deltamethrin (cis/trans) 0.412 / 0.327 *   insecticide
Dettol (p-chlorometaxylenol: PCMX) 0.323 *   antiseptic
3,3'-Diaminobenzidine 0.432 *   used to detect fingerprints in blood
3,4-Diaminodiphenylmethane 0.281    
4,4-Diaminodiphenylmethane 0.269    
Dianin's compound (R/S) 0.641 / 0.592 ** ERβ condensation isomer of Bisphenol A and acetone
Diatrizoic acid 0.457 *   radiocontrast agent
Diazinon 0.224   insecticide
Dibenzo[ac]anthracene 0.687 ** AhR suspected hazardous pollutant
Dibenzofuran 0.242   suspected hazardous pollutant
3-Dibenzofuranamine 0.259   suspected hazardous pollutant
2,5-Dichloro-4'-biphenylol 0.492 *   fungicide
2,8-Dichlorodibenzo-p-dioxin 0.432 *   suspected hazardous pollutant
2,3-Dichlorodibenzofuran 0.353 *   suspected hazardous pollutant
2,6-Dichlorodibenzofuran 0.364 *   suspected hazardous pollutant
2,8-Dichlorodibenzofuran 0.313 *   suspected hazardous pollutant
Dichlorodiphenyldichloroethylene (DDE) 0.538 ** GR DDT metabolite
Dichlorophen 0.197   anticestodal agent
Dieldrin 0.134   insecticide
Difloxacin 0.372 *   quinolone
Diiodohydroxyquinoline 0.041   quinoline derivative
7,12-Dimethylbenzo[a]anthracene 0.537 ** AhR suspected hazardous pollutant
Dimethylbenzylamine 0.210   organic catalyst (for PU foams and resins)
Dimethylterephtalate 0.349 *   chemical intermediate (polyester production)
Dinoseb (R/S) 0.051 / 0.164   herbicide
Dioxathion 0.145   insecticide
Dioxybenzone 0.388 *   UVB and short-wave UVA blocker in sunscreens
Diphenylacetylene 0.250    
Diphenylketene 0.282    
Diphenylmethane 0.263    
Diphenylmethanol 0.249   used in perfumes
Disperse Red 9 0.400 *   Anthraquinone dye
Disperse Red 11 0.129   Anthraquinone dye
Di-tertbutyl-dicarbonate 0.144   organic reagent
Divinylbenzene (meta/para) 0.235 / 0.251   styrene derivative
Dodecylbenzene 0.317 *   anionic detergent
Droxidopa 0.304 *   synthetic amino acid
Endosulfan 0.211   insecticide, acaricide
EDTA 0.087   chelating agent
Eosin (B/Y) 0.354 / 0.358 *   fluorescent dye
Ethacridine 0.259    
8-Ethyl-2,3,4-trichlorodibenzofuran 0.508 ** AhR suspected hazardous pollutant
Etofenprox 0.529 ** PR insecticide
Fenoxycarb 0.404 *   insecticide
Fenvalerate (RR/RS/SR/SS) 0.361 / 0.322 / 0.576 / 0.508 ** GR / AhR insecticide
Fipronil 0.120   insecticide
Flavanole 0.244   synthetic flavone
Flavanone 0.470 *   synthetic flavone
Flavone 0.533 ** ERβ synthetic flavone
Flavonole 0.518 ** ERβ synthetic flavone
Fluoranthene 0.364 ** AhR PAH found in combustion products
Fluorene 0.305 *   PAH used to make dyes, plastics, pesticides
Fluorenone 0.304 *   oxidation product of fluorene
Fluorescein 0.156   fluorophore commonly used in microscopy
7-Fluoro-2,3-dichlorodibenzo-p-dioxin 0.470 *   suspected hazardous pollutant
8-Fluoro-2,3-dichlorodibenzofuran 0.453 *   suspected hazardous pollutant
Fluorone 0.386 *   basic skeleton for various chemicals
2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin 0.567 ** AhR suspected hazardous pollutant
8-Fluoro-2,3,4-trichlorodibenzofuran 0.460 *   suspected hazardous pollutant
Formebolone 0.423 *   anabolic steroid
Fuchsine 0.306 *   magenta dye
Furazabol 0.658 ** AR derivative of the anabolic steroid stanozolol
Furylfuramide 0.196   food preservative: withdrawn from market
Gentisic acid 0.097   antioxidant excipient
Gonan (cis/trans) 0.400 / 0.340 *   saturated, unsubstituted steran
Glyphosate 0.076   systemic herbicide
Hematein 0.288   oxidized derivative of haematoxylin
HEPES 0.371 *   zwitterionic buffering agent
Heptachlor 0.269   insecticide
2,2',4,4',5,5'-Hexachlorobiphenyl 0.390 *   suspected hazardous pollutant
2,3,3',4,4',5-Hexachlorobiphenyl 0.456 *   suspected hazardous pollutant
2,3,3',4,4',5'-Hexachlorobiphenyl 0.507 ** AhR suspected hazardous pollutant
2,3',4,4',5,5'-Hexachlorobiphenyl 0.539 ** AR suspected hazardous pollutant
2,3',4,4',5',6-Hexachlorobiphenyl 0.549 ** AhR suspected hazardous pollutant
1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin 0.644 ** AhR suspected hazardous pollutant
1,2,3,6,7,8-Hexachlorodibenzofuran 0.593 ** AhR suspected hazardous pollutant
1,2,4,6,7,8-Hexachlorodibenzofuran 0.535 ** AhR suspected hazardous pollutant
2,3,4,6,7,8-Hexachlorodibenzofuran 0.588 ** AhR suspected hazardous pollutant
Hexachlorophene 0.470 *   disinfectant
Hexamidine 0.144   antiseptic, disinfectant
Hydroquinone 0.122   reducing agent
7-Hydroxy-2,3-dichlorodibenzo-p-dioxin 0.392 *   suspected hazardous pollutant
8-Hydroxy-2,3-dichlorodibenzofuran 0.370 *   suspected hazardous pollutant
6α-Hydroxyestradiol 0.470 *   flavone
8-Hydroxyquinoline 0.370 *   chelating agent
Hydroxystilbamidine 0.151   fluorescent dye
2-Hydroxy-3,7,8-trichlorodibenzo-p-dioxin 0.445 *   suspected hazardous pollutant
8-Hydroxy-2,3,4-trichlorodibenzofuran 0.457 *   suspected hazardous pollutant
Indanthrene blue RS 0.158   anthraquinone dye
Indene 0.144   flammable polyciclic hydrocarbon
Indigo 0.477 *   indigo dye: banned in Norway
Iobenzamic acid 0.363 *   contrast medium
Iocetamic acid (R/S) 0.054 / 0.195   contrast medium
Iodamide 0.219   contrast medium
7-Iodo-2,3-dichlorodibenzo-p-dioxin 0.493 *   suspected hazardous pollutant
2-Iodo-3,7,8-trichlorodibenzo-p-dioxin 0.560 ** AhR suspected hazardous pollutant
8-Iodo-2,3-dichlorodibenzofuran 0.442 *   suspected hazardous pollutant
8-Iodo-2,3,4-trichlorodibenzofuran 0.433 *   suspected hazardous pollutant
Iotalamic acid 0.136   contrast medium
Isobenzofuran 0.116    
Isoflavanoide 0.700 ** ERβ synthetic flavone
Isoindole 0.149    
Isophtalic acid 0.170    
8-Isopropyl-2,3-dichlorodibenzofuran 0.478 *   suspected hazardous pollutant
8-Isopropyl-2,3,4-trichlorodibenzofuran 0.499 *   suspected hazardous pollutant
Isoquinoline 0.066    
Isosafrole 0.304 *   aromatic organic chemical
Lipoamide 0.178    
Lumiflavin 0.521 ** ERβ toxic product of the photolysis of vitamin B2
Luminol 0.115   chemical exhibiting chemiluminescence
Melamine 0.045   plastic material
Menadione 0.157   aromatic ketone
Merocyanine I 0.000   fluorescent dye
3'-Methoxy-4'-aminoflavone 0.335 *    
7-Methoxycarbonyl-2,3-dichlorodibenzo-p-dioxin 0.647 ** AhR suspected hazardous pollutant
Methoxychlor 0.556 ** ERα insecticide
7-Methoxy-2,3-Dichlorodibenzo-p-dioxin 0.509 ** AhR suspected hazardous pollutant
8-Methoxy-2,3-dichlorodibenzofuran 0.310 *   suspected hazardous pollutant
8-Methoxyellipticine 0.482 *    
9-Methoxyellipticine 0.549 ** AhR  
3'-Methoxy-4'-nitro-α-naphthoflavone 0.553 ** GR  
3'-Methoxy-4'-nitroflavone 0.300    
2-Methoxy-3,7,8-trichlorodibenzo-p-dioxin 0.578 ** AhR suspected hazardous pollutant
8-Methoxy-2,3,4-trichlorodibenzofuran 0.557 ** AhR suspected hazardous pollutant
2-Methylbenzo[a]anthracene 0.568 ** AhR suspected hazardous pollutant
5-Methylbenzo[a]anthracene 0.517 ** AhR suspected hazardous pollutant
6-Methylbenzo[a]anthracene 0.546 ** AhR suspected hazardous pollutant
7-Methylbenzo[a]anthracene 0.536 ** AhR suspected hazardous pollutant
8-Methylbenzo[a]anthracene 0.539 ** AhR suspected hazardous pollutant
11-Methylbenzo[a]anthracene 0.536 ** AhR suspected hazardous pollutant
12-Methylbenzo[a]anthracene 0.549 ** AhR suspected hazardous pollutant
7-Methyl-2,3-dichlorodibenzo-p-dioxin 0.464   suspected hazardous pollutant
8-Methyl-2,3-dichlorodibenzofuran 0.443 *   suspected hazardous pollutant
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine 0.279   neurotoxin
2-Methyl-3,7,8-trichlorodibenzo-p-dioxin 0.563 ** AhR suspected hazardous pollutant
8-Methyl-2,3,4-trichlorodibenzofuran 0.425 *   suspected hazardous pollutant
Michler's ketone 0.307 *   intermediate in the production of dyes
Mirex 0.499 *   insecticide
Naphtacenequinone 0.415 *    
Naphtalene 0.178   PAH: carcinogenic in mice and rats
α-Naphthoflavone 0.506 ** AhR  
1,4-Naphthoquinone 0.152   antibacterial and antitumor properties
1-Naphthylamine 0.201   aromatic amine
Neutral red 0.169   eurhodin dye
Nile red 0.498 *   lipophilic stain
Nitrilotriacetic acid 0.176   chelating agent
3'-Nitro-α-naphthoflavone 0.549 ** GR  
4'-Nitro-α-naphthoflavone 0.328 *    
7-Nitro-2,3-dichlorodibenzo-p-dioxin 0.630 ** AhR suspected hazardous pollutant
2-Nitro-3,7,8-trichlorodibenzo-p-dioxin 0.650 ** AhR suspected hazardous pollutant
Nonylphenol (various isomers) 0.430–0.440 *   surfactant, spermicide
Norbolethone 0.662 ** AR anabolic steroid
1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin 0.725 *** AhR suspected hazardous pollutant
Octabenzone 0.307 *   UV absorber
Octachlorodperylene-diimide 0.001   organic semiconductor
Octylphenol (linear/branched) 0.437 / 0.427 *   polymer additive, surfactant
Oil Blue A 0.376 *   anthraquinone dye
Oil Yellow DE 0.000   azo dye
Ovalene 0.657 ** AhR PAH
Oxolinic acid 0.524 ** TRα quinoline antibiotic used in veterinary medicine
Oxypurinol 0.000   xanthine oxidase inhibitor
Padimate-A 0.215   used as UV filter in sunscreens
Padimate-O (R/S) 0.000 / 0.000   used as UV filter in sunscreens
Para Red 0.099   azo dye
Pendimethalin 0.384 *   preemergent herbicide
2,3,3',4,4'-Pentachlorobiphenyl 0.517 ** AhR suspected hazardous pollutant
2,3,4,4',5-Pentachlorobiphenyl 0.481 *   suspected hazardous pollutant
2,3',4,4',5-Pentachlorobiphenyl 0.469 *   suspected hazardous pollutant
2',3,4,4',5-Pentachlorobiphenyl 0.446 *   suspected hazardous pollutant
3,3',4,4',5-Pentachlorobiphenyl 0.527 ** AhR suspected hazardous pollutant
1,2,3,4,7-Pentachlorodibenzo-p-dioxin 0.575 ** AhR suspected hazardous pollutant
1,2,3,7,8-Pentachlorodibenzo-p-dioxin 0.616 ** AhR suspected hazardous pollutant
1,2,4,7,8-Pentachlorodibenzo-p-dioxin 0.551 ** AhR suspected hazardous pollutant
1,2,3,4,8-Pentachlorodibenzofuran 0.507 ** AhR suspected hazardous pollutant
1,2,3,7,9-Pentachlorodibenzofuran 0.534 ** AhR suspected hazardous pollutant
1,2,4,6,7-Pentachlorodibenzofuran 0.496 *   suspected hazardous pollutant
1,2,4,6,8-Pentachlorodibenzofuran 0.440 *   suspected hazardous pollutant
1,2,4,7,8-Pentachlorodibenzofuran 0.490 *   suspected hazardous pollutant
1,2,4,7,9-Pentachlorodibenzofuran 0.489 *   suspected hazardous pollutant
1,3,4,7,8-Pentachlorodibenzofuran 0.542 ** AhR suspected hazardous pollutant
Pentacene 0.554 ** AhR PAH
Permethrin (cis/trans) 0.389 / 0.459 *   insecticide, acaricide
Phenanthrene 0.363 *   PAH found in cigarette smoke: known irritant
Phenazine 0.268   parent substance of many dyestuffs
Phenidone 0.101   photographic developer
Phenol 0.158   antiseptic: developmental toxicity in animals
Phenolphthalein 0.503 ** ERβ titration dye
Phenothiazine 0.134   insecticide
Phenothrin (E/Z) 0.278 / 0.429 *   insecticide
Phenylacetylene 0.085   liquid analog of acetylene
7-Phenyl-2,3-dichlorodibenzo-p-dioxin 0.663 ** AhR suspected hazardous pollutant
2-Phenylphenol 0.479 *   biocide, preservative
4-Phenyl-4-(1-piperidinyl)cyclohexanol 0.157   metabolite of phencyclidine
N-(5-Phenylpyridin-2-yl)benzamide 0.248   firefly luciferase inhibitor
Picene 0.736 *** AhR suspected hazardous pollutant
Picloram 0.378 *   herbicide
Pipemidic acid 0.299   quinolone
Piromidic acid 0.296   quinolone
Propoxur 0.011   insecticide
Prostanozol 0.514 ** AR anabolic steroid
Purpuric acid 0.000   complexometric indicator
Purpurine 0.428 *   antrachinone dye: cancerogenic in rats; cytotoxic
Quinaldine 0.208   quinoline derivative
Quinoxaline 0.072   isomer of quinazoline
Setoperone 0.000   radioligand for studying neuropsychiatric disorders
Simazine 0.019   herbicide
Skatole 0.168   found in coal tar, mammalian feces, beets
Stenbolone 0.715 *** AR anabolic steroid
Styrene 0.086   aromatic hydrocarbon (precursor to polystyrene)
Sudan I 0.217   azo dye
Sudan II 0.476 *   azo dye
Sudan III 0.000   azo dye
Sulisobenzone 0.203   UV filter in sunscreens
Temefos 0.368 *   larvicide
7-Tert.butyl-2,3-Dichlorodibenzo-p-dioxin 0.581 ** AhR suspected hazardous pollutant
8-Tert.butyl-2,3-dichlorodibenzofuran 0.580 ** AhR suspected hazardous pollutant
8-Tert.butyl-2,3,4-trichlorodibenzofuran 0.589 ** AhR suspected hazardous pollutant
Tetracene 0.549 ** AhR PAH
2,2',4,4'-Tetrachlorobiphenyl 0.340 *   suspected hazardous pollutant
2,3,4,5-Tetrachlorobiphenyl 0.364 *   suspected hazardous pollutant
3,3',4,4'-Tetrachlorobiphenyl 0.467 *   suspected hazardous pollutant
3,4,4',5-Tetrachlorobiphenyl 0.451 *   suspected hazardous pollutant
1,2,3,4-Tetrachlorodibenzo-p-dioxin 0.466 *   suspected hazardous pollutant
1,3,7,8-Tetrachlorodibenzo-p-dioxin 0.537 ** AhR suspected hazardous pollutant
1,2,3,6-Tetrachlorodibenzofuran 0.401 *   suspected hazardous pollutant
1,2,3,7-Tetrachlorodibenzofuran 0.459 *   suspected hazardous pollutant
1,2,4,8-Tetrachlorodibenzofuran 0.442 *   suspected hazardous pollutant
2,3,4,6-Tetrachlorodibenzofuran 0.418 *   suspected hazardous pollutant
2,3,4,7-Tetrachlorodibenzofuran 0.437 *   suspected hazardous pollutant
2,3,4,8-Tetrachlorodibenzofuran 0.458 *   suspected hazardous pollutant
2,3,6,8-Tetrachlorodibenzofuran 0.459 *   suspected hazardous pollutant
Tetramethrin (cis/trans) 0.348 / 0.380 *   insecticide
Tetrathiafulvalene 0.162   organosulfur compound
Thiondigo 0.399 *   indigo dye
Tosylchloramide 0.320 *   antiseptic, disinfectant
2,4,5-Trichlorophenoxyacetic acid 0.281   herbicide
1,2,4-Trichlorodibenzo-p-dioxin 0.375 *   suspected hazardous pollutant
2,3,7-Trichlorodibenzo-p-dioxin 0.484 *   suspected hazardous pollutant
1,3,6-Trichlorodibenzofuran 0.404 *   suspected hazardous pollutant
1,3,8-Trichlorodibenzofuran 0.405 *   suspected hazardous pollutant
2,3,4-Trichlorodibenzofuran 0.410 *   suspected hazardous pollutant
2,3,8-Trichlorodibenzofuran 0.399 *   suspected hazardous pollutant
2,6,7-Trichlorodibenzofuran 0.442 *   suspected hazardous pollutant
Triclocarban 0.411 *   anti-bacterial/fungal agent (soaps/disinfectants)
Triclosan 0.332 *   antibacterial and antifungal agent
ortho-Tricresylphosphate 0.281   organophosphate compound
Triphenylamine 0.446 *   electroluminescence compound
Triphenylphosphate 0.300   plasticizer, flame retardant
7-Trifluoromethyl-2,3-dichlorodibenzo-p-dioxin 0.598 ** AhR suspected hazardous pollutant
8-Trifluoromethyl-2,3,4-trichlorodibenzofuran 0.555 ** AhR suspected hazardous pollutant
3,4',6-Trihydroxyflavone 0.552 ** ERβ flavone
Triphenylene 0.492 *   PAH (coal tar)
Triphenylethylene 0.597 ** GR nonsteroidal antiestrogen
Tropinone 0.000   synthetic alkaloid
Vat Yellow 4 (Golden Yellow K) 0.551 ** AhR anthraquinone vat dye
Warfarin 0.322 *   anticoagulant: various side effects
Xanthone 0.283   insecticide, ovicide
5 Bisphenol A and B are listed in class 1.


13. Pesticides

Compound Weighted toxic potential wTP class Main target Comments
Aminopyralid 0.244   non-toxic to birds, fish, honeybees
Anabasine 0.002   insecticide
Azoxystrobin 0.328 *   fungicide
Beflubutamid 0.210   very low toxicity in animals
Brodifacoum (cis/trans) 0.122 / 0.000   rodenticide: highly lethal anticoagulant poison
Bromethalin 0.607 ** PR rodenticide
Bromoxynil 0.106   moderate acute toxicity; possible carcinogen
Captan 0.065   fungicide
Carbendazim 0.256   WHO: unlikely to present hazard in normal use
Carbofuran 0.168   high acute toxicity in humans
Chlorophacinone (R/S) 0.201 / 0.267   rodenticide
Clodinafop 0.554 ** TRβ slightly toxic
Clofentezine 0.075   slight acute toxicity, possible carcinogen
Clomazone 0.116   moderate acute toxicity
Clopyralid 0.343 *   highly toxic
Coumatetralyl 0.183   rodenticide; anticoagulant
Crimidine 0.069   rodenticide
Cyproconazole (RR/RS/SR/SS) 0.214 / 0.001 / 0.000 / 0.078   mice: carcinogenic; rats: developmental toxicity
Cyprodinil 0.089   acute oral, dermal and inhalation toxicity (EPA: III–IV)
Dicamba 0.296   acute toxicity (EPA: III)
Dichlorprop 0.381 *   slight acute, high developmental toxicity
Dicofol 0.263   miticide
Difenacoum (cis/trans) 0.272 / 0.356 *   rodenticide; anticoagulant
Difethialone 0.000   rodenticide; anticoagulant
Diflubenzuron 0.495 *   slight acute toxicity
Dimethenamid 0.102   moderate acute toxicity
Dimethomorph (E/Z) 0.536 / 0.476 ** MR slight acute toxicity
Dimoxystrobin 0.500 *    
Diphenadione 0.233   rodenticide
Diuron 0.029   slightly toxic to animals
Endrin 0.182   insecticide
Esfenvalerate 0.418 *   highly toxic to bees and fish
Ethofumesate 0.339 *   no genotoxic/carcinogenic potential
Fenamidone 0.178   not toxic to rodents
Fenarimol 0.110   slightly toxic to mammals
Fenhexamid 0.534 ** AR slightly toxic in rats
Fenpropidin (R/S) 0.000 / 0.000    
Flocoumafen 0.322 *   rodenticide; anticoagulant
Flonicamid 0.000   low acute toxicity
Fluazinam 0.232    
Fludioxonil 0.457 *   body-weight decrease; not cancerogenic
Flurprimidol 0.106   endocrine disruptor in adrenal cortex and ovary
Fuberidazole 0.210   moderate acute toxicity
Imazalil 0.293   moderate acute toxicity; liver toxicity in animals
Indandione 0.069   rodenticide; anticoagulant
Iprodione 0.382 *   fungicide
Isoproturon 0.023   slightly hazardous
Isoxaflutole 0.099   slight acute toxicity; likely to be a carcinogen
Mecoprop 0.354   slightly toxic; teratogenic to rats
Metalaxyl 0.189   no mutagenic and teratogenic potential
Metachlor (S) 0.161    
Metaldehyd 0.224    
Metazachlor 0.108   low acute, dermal, and inhalation toxicity
Metconazole (RR/RS/SR/SS) 0.165 / 0.150 / 0.126 / 0.259   liver tumors in mice
2-Methyl-4-chlorophenoxyacetic acid 0.450 *   slightly toxic, restricted use
Metrafenone 0.544 ** ERβ carcinogenic in mice
Myclobutamil (R/S) 0.059 / 0.487 *   slight acute toxicity; toxic to aquatic organisms
Myristicin 0.262   naturally occurring insecticide (nutmeg)
α-Naphthylthiourea 0.185   rodenticide
Napropamide (R/S) 0.185 / 0.370 *   slightly toxic (EPA: III)
Parathion 0.230   insecticide
Penconazole (R/S) 0.100 / 0.011   developmental toxicity in rats
Pethoxamid 0.224   hepatotoxic in rats
Phosacetim 0.166   rodenticide
Pindone 0.110   rodenticide
Procymidone 0.314 *    
Propiconazole (RR/RS/SR/SS) 0.341 / 0.328 / 0.2094 / 0.162 *    
Propyzamide 0.170   slightly toxic
Prosulfocarb 0.117   low dermal and inhalational toxicity
Pymetrozine 0.082   low acute toxicity to humans
Pyraflufen 0.273   highly toxic
Pyridate 0.445 *   low toxicity in rats, rabbits, fish, wildlife
Pyrimethanil 0.223   growth inhibition the of H. uvarum
Pyrinuron 0.194   rodenticide
Quimerac 0.252    
Quinoxufen 0.224    
Spirodiclofen 0.240    
Spiroxamine 0.297    
Sulcotrione 0.208    
Tebufenozide 0.232    
Tebufenpyrad 0.277    
Teflubenzurone 0.282    
Tepraloxydime (RE/RZ/SE/SZ) 0.309 / 0.115 / 0.176 / 0.266 *    
Terbutylazine 0.306 *    
Tetraconazole (R/S) 0.352 / 0.073 *    
Tetramethylenedisulfotetramine 0.007   rodenticide
Thiabendazole 0.017    
Thiram 0.059    
Triasulfuron 0.000    
Tribenuron 0.076    
Triclopyr 0.364 *    
Trifluralin 0.405 *    
Trinexapac (R/S) 0.241 / 0.335 *    
Triticonazole (R/S) 0.229 / 0.065    
Vinclozolin (R/S) 0.253 / 0.299   fungicide
Zoxamide 0.143    


14. Miscellaneous Compounds

Compound Weighted toxic potential wTP class Main target Comments
Adrafinil 0.472 *   central nervous system stimulant: orafacial side effects
Aristolochic acid 0.453 *   rodent carcinogen
Aspartame 0.057   artificial sweetener
Atropin (R/S) 0.187 / 0.240   anticholinergic: poisonous at high dosage
Cyclosarin 0.489 *   nerve agent
Deguelin 0.452 *   rotenoid: anti-cancer activity, no cytotoxicity
Desoxymethyltestosterone 0.607 ** AR anabolic steroid
Dextroamphetamine 0.250   psychostimulant: several (including severe) side effects
Ethylestrenol 0.555 ** AR anabolic steroid
Genistein 0.584 ** ERβ phytoestrogen
Heroin 0.275   semi-synthetic opioid: lethal in overdose
Hyoscyamin 0.179   tropane alkaloid drug: several (including severe) side effects
Medroxyprogesterone 0.646 ** MR treatment of endometriosis, AMB and amenorrhea
Methadone (R/S) 0.157 / 0.184   analgesic, antitussive, anti-addictive: toxic in overdose
Methandrostenolone 0.546 ** AR anabolic steroid
N-Methylamphetamine 0.138   psychostimulant: various side effects with chronic use
Methyltestosterone 0.589 ** AR anabolic steroid
Mifepristone 0.506 ** PR abortifacient: various serious side effects
Norethisterone 0.639 ** ERα oral contraceptive: various side effects
Norethynodrel 0.683 ** ERβ oral contraceptive
Pentobarbital (R/S) 0.488 / 0.442 *   short-acting barbiturate: euthanasiant
Pregnenolone 0.723 *** ERβ steroid hormone (prohormone)
Quinine 0.262   antimalarial, analgesic: cinchonism
3-Quinuclidinyl benzilate 0.353 *   incapacitating agent
Scopolamine 0.309 *   tropane alkaloid drug: several side effects
Sildenafil 0.051   lifestyle drug: rare but severe side effects
Tadalafil 0.290   lifestyle drug: various side effects
Tetrahydrocannabinol 0.426 *   psychoactive substance: mutagenic (AMES); neurobehavioral toxicity
Vardenafil 0.043   lifestyle drug: various side effects
Yohimbin 0.203   aphrodisiac: significant side effects; dangerous at high dosage


15. Doping: banned compounds6

Compound Weighted toxic potential wTP class Main target Comments
Amiphenazole 0.152   respiratory stimulant
Amphetamine (R/S) 0.135 / 0.155   performance enhancer
Androstenediol (4-/5-) 0.651 / 0.689 ** ERβ steroid (metabolite of DHEA)
Androstenedione 0.521 ** PR steroid hormone (adrenal glands)
Benzphetamine 0.121   anti-obesity drug
Boldenone 0.617 ** AR anabolic steroid (developed for veterinary use)
Chlorphentermine 0.197   appetite suppressant
Clostebol 0.714 *** AR anabolic androgenic steroid
Dehydrochlormethyltestosterone 0.728 *** AR anabolic steroid
Diethylcathinone (R/S) 0.017 / 0.000   appetite suppressant
Dihydrotestosterone 0.682 ** AR biologically active metabolite of testosterone
Dimethylamphetamine (R/S) 0.140 / 0.198   stimulant drug
Doxapram 0.613 ** ERβ respiratory stimulant
Drostanolone 0.742 *** AR anabolic steroid
Ethylamphetamine (R/S) 0.134 / 0.174   stimulant drug
Ephedrine 0.143   stimulant
Ethamivan 0.318 *   respiratory stimulant
Fencamfamine 0.111   appetite suppressant
Fentermine (Phentermine) 0.097   appetite suppressant
Fluoxymesterone 0.578 ** AR androgen to increase strength and aggression
Nandrolone 0.663 ** AR anabolic steroid
Norandrostenediol 0.614 ** ERβ anabolic steroid
Norandrostenedione 0.593 ** 1A2 anabolic steroid
Norethandrolone 0.607 ** AR anabolic steroid
Oxandrolone 0.684 ** AR anabolic steroid
Oxymesterone 0.646 ** AR anabolic steroid
Oxymetholone 0.444 *   anabolic steroid
Pentylenetetrazol 0.079   respiratory stimulant
Phendimetrazine 0.048   weight loss medication
Phenmetrazine 0.079   CNS stimulant, anorectic drug
Picrotoxinin 0.165   active component of picrotoxin
Pipradol 0.120   mild CNS stimulant
Prolintane (R/S) 0.090 / 0.210 *   psychostimulant, nootropic drug
Stanozolol 0.638 ** AR anabolic steroid
Synephrine (R/S) 0.069 / 0.033   stimulant
Testosterone 0.718 *** AR steroid hormone
Tetrahydrogestrinone (THG, "The Clear") 0.679 ** AR anabolic steroid
Trenbolone 0.605 ** ERβ synthetic steroid hormone: affects reproduction
6 Other banned compounds are listed in classes 1, 4, 6–8, 12 and 14.




Last update of this page: February 1, 2012