Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
ethylene dichloride | [no description available] | medium | 1 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
adenine | [no description available] | medium | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
benzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
benzene | [no description available] | medium | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
propionaldehyde | [no description available] | medium | 1 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
dibenzofuran | [no description available] | medium | 1 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
alanine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion | fundamental metabolite |
hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
indole | [no description available] | medium | 1 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
methanol | [no description available] | medium | 1 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
acetanilide | [no description available] | medium | 4 | 0 | acetamides; anilide | analgesic |
naphthalene | [no description available] | medium | 1 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
pyridine | [no description available] | medium | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
dimethyl sulfide | [no description available] | medium | 1 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
succinic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
toluene | [no description available] | medium | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
trimethylamine | [no description available] | medium | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acetaminophen | [no description available] | medium | 4 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
theophylline | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
aspirin | [no description available] | medium | 1 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
atrazine | [no description available] | medium | 1 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
barbital | [no description available] | medium | 1 | 0 | barbiturates | drug allergen |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
benzocaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls; imidazoles | |
bromazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
caffeine | [no description available] | medium | 1 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
4-cresol | [no description available] | medium | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
desipramine | [no description available] | medium | 1 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
ddt | [no description available] | medium | 1 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
diuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
ether | [no description available] | medium | 1 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ibuprofen | [no description available] | medium | 1 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
lidocaine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
indomethacin | [no description available] | medium | 1 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam; isoindoles; monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
ketoprofen | [no description available] | medium | 1 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
lorazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
oxazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacetin | [no description available] | medium | 4 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
procaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
promazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
corticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
prednisone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
mannitol | [no description available] | medium | 1 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
4-toluenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
1,1,1-trichloroethane | [no description available] | medium | 1 | 0 | chloroethanes | polar solvent |
ethylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | human metabolite |
nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
tert-butyl alcohol | [no description available] | medium | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
methylethyl ketone | [no description available] | medium | 1 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
methyl acetate | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent |
nitroethane | [no description available] | medium | 1 | 0 | primary nitroalkane | |
fluorene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
hexamethylbenzene | [no description available] | medium | 1 | 0 | methylbenzene | |
quinoline | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
diphenyl | [no description available] | medium | 1 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
benzidine | [no description available] | medium | 1 | 0 | biphenyls; substituted aniline | carcinogenic agent |
methyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
benzotrifluoride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; fluorohydrocarbon | environmental contaminant; NMR chemical shift reference compound; solvent |
butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
acetophenone | [no description available] | medium | 1 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
carvone | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; carvones | allergen |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
4-chloroaniline | [no description available] | medium | 2 | 0 | chloroaniline; monochlorobenzenes | |
propionitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | polar aprotic solvent |
bromobenzene | [no description available] | medium | 1 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
chlorobenzene | [no description available] | medium | 1 | 0 | monochlorobenzenes | solvent |
pentane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
dimethoxymethane | [no description available] | medium | 1 | 0 | acetal; diether | |
tetrahydrofuran | [no description available] | medium | 1 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
n-hexane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
cyclohexane | [no description available] | medium | 1 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
cyclohexene | [no description available] | medium | 1 | 0 | cycloalkene | |
morpholine | [no description available] | medium | 1 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
ethyl-p-hydroxybenzoate | [no description available] | medium | 1 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
3-nitrobenzoic acid | [no description available] | medium | 1 | 0 | | |
2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
ethyl acetate | [no description available] | medium | 1 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
ephedrine | [no description available] | medium | 1 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
1-chloropropane | [no description available] | medium | 1 | 0 | | |
2,3-dichlorophenol | [no description available] | medium | 1 | 0 | | |
methyl butyrate | [no description available] | medium | 1 | 0 | fatty acid ester | |
decachlorobiphenyl | [no description available] | medium | 1 | 0 | pentachlorobenzenes; polychlorobiphenyl | |
desmedipham | [no description available] | medium | 1 | 0 | carbamate ester | agrochemical; environmental contaminant; herbicide; xenobiotic |
menthone | [no description available] | medium | 1 | 0 | menthone | |
dimethylacetamide | [no description available] | medium | 1 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
fenoxycarb | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
camphora | [no description available] | medium | 1 | 0 | camphor | |
atropine | [no description available] | medium | 1 | 0 | | |
(+)-limonene | [no description available] | medium | 1 | 0 | limonene | plant metabolite |
griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
cocaine | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
diethylstilbestrol | [no description available] | medium | 1 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
sulindac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
morphine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
nifuroxime | [no description available] | medium | 1 | 0 | | |
nitrofurantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
warfarin | [no description available] | medium | 1 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
guanine | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen; metabolite |
rifampin | [no description available] | medium | 1 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
methylene blue | [no description available] | medium | 1 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
hydrogen carbonate | [no description available] | medium | 1 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
lithium | [no description available] | medium | 1 | 0 | alkali metal atom | |
efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
propylene glycol | [no description available] | medium | 1 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
oxanilic acid | [no description available] | medium | 1 | 0 | | |
propachlor | [no description available] | medium | 1 | 0 | anilide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
foe 5043 | [no description available] | medium | 1 | 0 | aromatic amide; monofluorobenzenes; thiadiazoles | environmental contaminant; herbicide; xenobiotic |
ammonium chloride | [no description available] | medium | 1 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
ethane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
oxamic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide | Escherichia coli metabolite |
alachlor | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
acetochlor | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
dimethenamid | [no description available] | medium | 1 | 0 | aromatic amide; ether; organochlorine compound; thiophenes | |
melatonin | [no description available] | low | 0 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
n-acetylserotonin | [no description available] | low | 0 | 0 | acetamides; N-acylserotonin; phenols | antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist |
n'-acetylspermine | [no description available] | low | 0 | 0 | acetamides; acetylspermine | human metabolite |
6-chloromelatonin | [no description available] | low | 0 | 0 | acetamides | |
6-hydroxymelatonin | [no description available] | low | 0 | 0 | acetamides; tryptamines | metabolite; mouse metabolite |
acetarsol | [no description available] | low | 0 | 0 | acetamides; anilide | |
4-(acetylamino)benzeneacetic acid | [no description available] | low | 0 | 0 | acetamides; anilide | |
diatrizoic acid | [no description available] | low | 0 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
ci 994 | [no description available] | low | 0 | 0 | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
colchicine, (+-)-isomer | [no description available] | low | 0 | 0 | acetamides; alkaloid; aromatic ether; carbotricyclic compound | microtubule-destabilising agent; plant metabolite |
gr 89696 | [no description available] | low | 0 | 0 | acetamides | |
guanfacine | [no description available] | low | 0 | 0 | acetamides | |
hexamethylene bisacetamide | [no description available] | low | 0 | 0 | acetamides | |
acecainide | [no description available] | low | 0 | 0 | acetamides; benzamides | anti-arrhythmia drug |
phenacemide | [no description available] | low | 0 | 0 | acetamides | |
practolol | [no description available] | low | 0 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
tropicamide | [no description available] | low | 0 | 0 | acetamides | |
talactoferrin alfa | [no description available] | low | 0 | 0 | acetamides | |
methacetin | [no description available] | low | 0 | 0 | acetamides; aromatic ether | |
acedapsone | [no description available] | low | 0 | 0 | acetamides; anilide; secondary carboxamide; sulfone | antimalarial; antimicrobial drug |
n-methylacetamide | [no description available] | low | 0 | 0 | acetamides; monocarboxylic acid amide | metabolite |
acetopyrrothine | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin |
phenylbutyramide | [no description available] | low | 0 | 0 | acetamides | |
N-(2-methoxyphenyl)acetamide | [no description available] | low | 0 | 0 | acetamides; methoxybenzenes | |
4-methylacetanilide | [no description available] | low | 0 | 0 | acetamides; toluenes | |
arsthinol | [no description available] | low | 0 | 0 | acetamides; anilide | |
nithiamide | [no description available] | low | 0 | 0 | acetamides; aromatic amide | |
4'-(chloroacetyl)acetanilide | [no description available] | low | 0 | 0 | acetamides; alpha-chloroketone; aromatic ketone | |
monoacetyldapsone | [no description available] | low | 0 | 0 | acetamides; anilide; secondary carboxamide; sulfone | |
2-hydroxyacetanilide | [no description available] | low | 0 | 0 | acetamides; phenols | anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite |
3-hydroxyacetanilide | [no description available] | low | 0 | 0 | acetamides; phenols | non-narcotic analgesic |
n-ethylacetamide | [no description available] | low | 0 | 0 | acetamides | metabolite |
ethyl n-alpha-acetyl-tyrosinate | [no description available] | low | 0 | 0 | acetamides; ethyl ester; L-tyrosine derivative; phenols | |
2-acetamidoethanethiol | [no description available] | low | 0 | 0 | acetamides | metabolite |
n,n-diethylphenylacetamide | [no description available] | low | 0 | 0 | acetamides | |
trimethylcolchicinic acid methyl ether | [no description available] | low | 0 | 0 | acetamides; alkaloid; carbotricyclic compound | |
4-acetylaminofluorene | [no description available] | low | 0 | 0 | acetamides; fluorenes | mitogen |
ioxitalamic acid | [no description available] | low | 0 | 0 | acetamides; benzoic acids; dicarboxylic acid monoamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
lorcainide | [no description available] | low | 0 | 0 | acetamides | |
bidisomide | [no description available] | low | 0 | 0 | acetamides | |
n(4)-acetylsulfadiazine | [no description available] | low | 0 | 0 | acetamides; pyrimidines; sulfonamide | marine xenobiotic metabolite |
oseltamivir | [no description available] | low | 0 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
6-sulfatoxymelatonin | [no description available] | low | 0 | 0 | acetamides | |
n-acetylaminoantipyrine | [no description available] | low | 0 | 0 | acetamides; pyrazoles | drug metabolite; marine xenobiotic metabolite |
milnacipran | [no description available] | low | 0 | 0 | acetamides | |
N(4)-acetylsulfathiazole | [no description available] | low | 0 | 0 | 1,3-thiazoles; acetamides; sulfonamide | marine xenobiotic metabolite |
disobutamide | [no description available] | low | 0 | 0 | acetamides | |
glycolamide | [no description available] | low | 0 | 0 | acetamides | |
n-acetylhistamine | [no description available] | low | 0 | 0 | acetamides; imidazoles | human metabolite |
n-acetyltryptamine | [no description available] | low | 0 | 0 | acetamides; indoles | |
acamprosate | [no description available] | low | 0 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
guanfacine hydrochloride | [no description available] | low | 0 | 0 | acetamides | geroprotector |
epanolol | [no description available] | low | 0 | 0 | acetamides | |
N-Acetylhomoveratrylamine | [no description available] | low | 0 | 0 | acetamides | |
s20098 | [no description available] | low | 0 | 0 | acetamides | |
acetaminophen sulfate ester | [no description available] | low | 0 | 0 | acetamides; aryl sulfate | drug metabolite |
acetaminophen mercapturate | [no description available] | low | 0 | 0 | acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine | drug metabolite; human urinary metabolite; rat metabolite |
4-(hydroxyphenyl)acetamide | [no description available] | low | 0 | 0 | acetamides | |
n-acetyltryptophanamide | [no description available] | low | 0 | 0 | acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide | |
n-acetyldopamine | [no description available] | low | 0 | 0 | acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide | human urinary metabolite; marine metabolite |
ethyl-3-(n-n-butyl-n-acetyl)aminopropionate | [no description available] | low | 0 | 0 | acetamides; ethyl ester; tertiary carboxamide | |
n-acetylcytidine | [no description available] | low | 0 | 0 | acetamides; cytidines; secondary carboxamide | metabolite |
2-iodomelatonin | [no description available] | low | 0 | 0 | acetamides | |
n-acetyltyramine | [no description available] | low | 0 | 0 | acetamides; tyramines | animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor |
luzindole | [no description available] | low | 0 | 0 | acetamides; indoles | melatonin receptor antagonist |
acetylphenylalanyl-prolyl-boroarginine | [no description available] | low | 0 | 0 | acetamides; C-terminal boronic acid peptide; guanidines | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
n',n''-diacetylspermine | [no description available] | low | 0 | 0 | acetamides | |
bcx 1812 | [no description available] | low | 0 | 0 | 3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
acetyltaurine | [no description available] | low | 0 | 0 | acetamides; organosulfonic acid | human blood serum metabolite; human urinary metabolite |
milnacipran hydrochloride | [no description available] | low | 0 | 0 | acetamides | |
n(4)-acetylsulfadimethoxine | [no description available] | low | 0 | 0 | acetamides; pyrimidines; sulfonamide | marine xenobiotic metabolite |
monoacetylcadaverine | [no description available] | low | 0 | 0 | acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide | human metabolite |
N-hydroxy-2-phenylacetamide | [no description available] | low | 0 | 0 | acetamides | |
N-(1-phenylethyl)acetamide | [no description available] | low | 0 | 0 | acetamides; secondary carboxamide | |
gamma-lumicolchicine | [no description available] | low | 0 | 0 | acetamides; alkaloid; carbotricyclic compound | |
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid | [no description available] | low | 0 | 0 | acetamides | |
mr 16728 | [no description available] | low | 0 | 0 | acetamides | |
linezolid | [no description available] | low | 0 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
ammodendrine | [no description available] | low | 0 | 0 | acetamides; N-acylpiperidine; piperidine alkaloid | plant metabolite; teratogenic agent |
laninamivir | [no description available] | low | 0 | 0 | acetamides | |
N-[2-(4-methoxyphenyl)ethyl]acetamide | [no description available] | low | 0 | 0 | acetamides | |
N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide | [no description available] | low | 0 | 0 | acetamides; piperidines; pyridines; sulfonamide | |
2-(4-methoxyphenyl)-N-(phenylmethyl)-N-propan-2-ylacetamide | [no description available] | low | 0 | 0 | acetamides | |
N-[4-(4-morpholinylazo)phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[4-(5-bromo-2-thiophenyl)-2-thiazolyl]acetamide | [no description available] | low | 0 | 0 | acetamides; aromatic amide | |
1-(1-azepanyl)-2-(4-bromophenyl)ethanone | [no description available] | low | 0 | 0 | acetamides | |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide | [no description available] | low | 0 | 0 | acetamides | |
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide | [no description available] | low | 0 | 0 | acetamides | |
N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide | [no description available] | low | 0 | 0 | acetamides | |
2-(3-acetamidophenoxy)-N-phenylacetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
1-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-1-cyclopentanecarboxamide | [no description available] | low | 0 | 0 | acetamides | |
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
1-[[2-(3-bromo-4-methoxyphenyl)-1-oxoethyl]amino]-3-phenylthiourea | [no description available] | low | 0 | 0 | acetamides | |
4-(2,4-dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide | [no description available] | low | 0 | 0 | acetamides | |
2-acetamido-5-propyl-3-thiophenecarboxamide | [no description available] | low | 0 | 0 | acetamides; aromatic amide | |
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides | |
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide | [no description available] | low | 0 | 0 | acetamides | |
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(2-methoxyphenyl)acetamide | [no description available] | low | 0 | 0 | acetamides | |
2-(4-chlorophenyl)-N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides | |
1-ethyl-3-[(1-oxo-2-phenylethyl)amino]thiourea | [no description available] | low | 0 | 0 | acetamides | |
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide | [no description available] | low | 0 | 0 | acetamides | |
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide | [no description available] | low | 0 | 0 | acetamides | |
2-(4-chlorophenyl)-N-[4-(difluoromethylthio)phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides | |
N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
acetylthiourea | [no description available] | low | 0 | 0 | acetamides; thioureas | |
alpha-acetyllysine methyl ester | [no description available] | low | 0 | 0 | acetamides; alpha-amino acid ester; L-lysine derivative; methyl ester; primary amino compound | |
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone | [no description available] | low | 0 | 0 | acetamides | |
N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide | [no description available] | low | 0 | 0 | acetamides | |
ici 199441 | [no description available] | low | 0 | 0 | acetamides | |
N-[4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone | [no description available] | low | 0 | 0 | acetamides | |
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide | [no description available] | low | 0 | 0 | acetamides | |
CID 3191469 | [no description available] | low | 0 | 0 | acetamides; anilide | anticoronaviral agent |
CID 3198732 | [no description available] | low | 0 | 0 | acetamides; anilide | anticoronaviral agent |
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone | [no description available] | low | 0 | 0 | acetamides | |
5-methoxycarbonylamino-n-acetyltryptamine | [no description available] | low | 0 | 0 | acetamides | |
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamide | [no description available] | low | 0 | 0 | acetamides | |
N-[2-[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]oxyphenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
brl 52537 | [no description available] | low | 0 | 0 | acetamides | |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(-)-isomer | [no description available] | low | 0 | 0 | acetamides | |
levomilnacipran | [no description available] | low | 0 | 0 | acetamides | |
andarine | [no description available] | low | 0 | 0 | acetamides; anilide | |
ro-28-1675 | [no description available] | low | 0 | 0 | acetamides | |
holomycin | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite |
N-[1-(5,6-dicyano-3-methyl-2-pyrazinyl)ethyl]-N-phenylacetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
trametinib | [no description available] | low | 0 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine | [no description available] | low | 0 | 0 | acetamides | |
2-acetamidoglucal | [no description available] | low | 0 | 0 | acetamides; glycal derivative | metabolite |
3-[1-[[1-(4-methoxyphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | [no description available] | low | 0 | 0 | acetamides | |
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | [no description available] | low | 0 | 0 | acetamides | |
3-[1-[oxo-(1-phenylcyclopropyl)methyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | [no description available] | low | 0 | 0 | acetamides | |
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | [no description available] | low | 0 | 0 | acetamides | |
n(alpha)-acetylfusarinines | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol | siderophore |
N-[2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide | [no description available] | low | 0 | 0 | acetamides | |
KOM70144 | [no description available] | low | 0 | 0 | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | [no description available] | low | 0 | 0 | acetamides; hydroxyindoles; tryptamines | antineoplastic agent; apoptosis inducer; plant metabolite |
N-[4-[2-(2-methoxyethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
N-[4-[2-(2-oxolanylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide | [no description available] | low | 0 | 0 | acetamides; anilide | |
dinitrochlorobenzene | [no description available] | low | 0 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
bupropion | [no description available] | low | 0 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
pk 11195 | [no description available] | low | 0 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
1-(3-chlorophenyl)biguanide | [no description available] | low | 0 | 0 | biguanides; monochlorobenzenes | |
1-(3-chlorophenyl)piperazine | [no description available] | low | 0 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
chlorocresol | [no description available] | low | 0 | 0 | hydroxytoluene; monochlorobenzenes | antimicrobial agent; disinfectant; ryanodine receptor agonist |
win 53338 | [no description available] | low | 0 | 0 | isoxazoles; monochlorobenzenes | antiviral agent |
acemetacin | [no description available] | low | 0 | 0 | carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
rtki cpd | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector |
amlodipine | [no description available] | low | 0 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
azelastine | [no description available] | low | 0 | 0 | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
azosemide | [no description available] | low | 0 | 0 | monochlorobenzenes; sulfonamide; tetrazoles; thiophenes | loop diuretic |
baclofen | [no description available] | low | 0 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
carbinoxamine | [no description available] | low | 0 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | low | 0 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
cetirizine | [no description available] | low | 0 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlorhexidine | [no description available] | low | 0 | 0 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
chlormezanone | [no description available] | low | 0 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
chloroxylenol | [no description available] | low | 0 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
chlorphenesin carbamate | [no description available] | low | 0 | 0 | carbamate ester; monochlorobenzenes; secondary alcohol | muscle relaxant |
chlorpheniramine | [no description available] | low | 0 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpropamide | [no description available] | low | 0 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorpropham | [no description available] | low | 0 | 0 | benzenes; carbamate ester; monochlorobenzenes | herbicide; plant growth retardant |
chlorthalidone | [no description available] | low | 0 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
clemizole | [no description available] | low | 0 | 0 | benzimidazoles; monochlorobenzenes; pyrrolidines | histamine antagonist |
clofazimine | [no description available] | low | 0 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
clofibrate | [no description available] | low | 0 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clofibric acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
clonazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
clorprenaline | [no description available] | low | 0 | 0 | ethanolamines; monochlorobenzenes; secondary amino compound | |
clotrimazole | [no description available] | low | 0 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
croconazole | [no description available] | low | 0 | 0 | aromatic ether; conazole antifungal drug; imidazole antifungal drug; monochlorobenzenes | |
dichlorodiphenyl dichloroethylene | [no description available] | low | 0 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
econazole | [no description available] | low | 0 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
fenofibrate | [no description available] | low | 0 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fenvalerate | [no description available] | low | 0 | 0 | aromatic ether; carboxylic ester; monochlorobenzenes | pyrethroid ester acaricide; pyrethroid ester insecticide |
glyburide | [no description available] | low | 0 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
haloperidol | [no description available] | low | 0 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hydroxyzine | [no description available] | low | 0 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
ketamine | [no description available] | low | 0 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
lofepramine | [no description available] | low | 0 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
loperamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
metoclopramide | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
moclobemide | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
nefazodone | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nemonapride | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline | |
niclosamide | [no description available] | low | 0 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
ag 1879 | [no description available] | low | 0 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
proglumetacin | [no description available] | low | 0 | 0 | aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
pyrimethamine | [no description available] | low | 0 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
sulconazole | [no description available] | low | 0 | 0 | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
ticlopidine | [no description available] | low | 0 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
trazodone | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
triclosan | [no description available] | low | 0 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
zomepirac | [no description available] | low | 0 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
dichlorodiphenyldichloroethane | [no description available] | low | 0 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
systhane | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; triazoles | |
buclizine | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic |
bis(p-chlorophenyl)acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; monochlorobenzenes | |
1-chloro-2-nitrobenzene | [no description available] | low | 0 | 0 | C-nitro compound; monochlorobenzenes | |
picryl chloride | [no description available] | low | 0 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
3,3'-dichlorobenzidine | [no description available] | low | 0 | 0 | biphenyls; monochlorobenzenes; organochlorine compound | |
mecoprop | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | |
2-methyl-4-chlorophenoxyacetic acid | [no description available] | low | 0 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
2-methyl-4-chlorophenoxy gamma-butyric acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; xenobiotic |
3-chloro-4-methylaniline | [no description available] | low | 0 | 0 | chloroaniline; monochlorobenzenes | avicide |
4-chloro-1,2-diaminobenzene | [no description available] | low | 0 | 0 | monochlorobenzenes | |
fentichlor | [no description available] | low | 0 | 0 | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
dyrene | [no description available] | low | 0 | 0 | monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines | antifungal agrochemical |
triclocarban | [no description available] | low | 0 | 0 | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
barban | [no description available] | low | 0 | 0 | acetylenic compound; carbamate ester; monochlorobenzenes | herbicide |
chlorphenesin | [no description available] | low | 0 | 0 | glycol; monochlorobenzenes; propane-1,2-diols | antibacterial drug; antifungal drug; muscle relaxant |
4-chlorotoluene | [no description available] | low | 0 | 0 | monochlorobenzenes | |
dicofol | [no description available] | low | 0 | 0 | monochlorobenzenes; organochlorine acaricide; tertiary alcohol | |
tetradifon | [no description available] | low | 0 | 0 | monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene | |
chloroprocaine | [no description available] | low | 0 | 0 | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug |
monuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes | environmental contaminant; herbicide; xenobiotic |
5-chlorosalicylic acid | [no description available] | low | 0 | 0 | chlorobenzoic acid; monochlorobenzenes; monohydroxybenzoic acid | |
cloflucarban | [no description available] | low | 0 | 0 | monochlorobenzenes; phenylureas | antibacterial agent |
pyrrolnitrin | [no description available] | low | 0 | 0 | alkaloid; C-nitro compound; monochlorobenzenes; pyrroles | antifungal drug; bacterial metabolite |
4-chloro-2-cresol | [no description available] | low | 0 | 0 | monochlorobenzenes; phenols | |
4-chlorophenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; monochlorobenzenes | xenobiotic metabolite |
4,4'-dichlorobiphenyl | [no description available] | low | 0 | 0 | dichlorobiphenyl; monochlorobenzenes | |
4-chlorocatechol | [no description available] | low | 0 | 0 | chlorocatechol; monochlorobenzenes | bacterial xenobiotic metabolite |
2-chloro-4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; monochlorobenzenes | |
ddms | [no description available] | low | 0 | 0 | chlorophenylethane; monochlorobenzenes | |
4-bromo-2-chlorophenol | [no description available] | low | 0 | 0 | halophenol; monochlorobenzenes; organobromine compound | |
3-chlorocatechol | [no description available] | low | 0 | 0 | chlorocatechol; monochlorobenzenes | |
4-chlorophenoxyacetic acid | [no description available] | low | 0 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | phenoxy herbicide |
clemastine | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
chlortoluron | [no description available] | low | 0 | 0 | monochlorobenzenes; phenylureas | agrochemical; environmental contaminant; herbicide; xenobiotic |
methoxuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes; monomethoxybenzene | agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; plant growth regulator; xenobiotic |
alclofenac | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
benthiocarb | [no description available] | low | 0 | 0 | monochlorobenzenes; monothiocarbamic ester | |
2,4'-dichlorobiphenyl | [no description available] | low | 0 | 0 | dichlorobiphenyl; monochlorobenzenes | |
diflubenzuron | [no description available] | low | 0 | 0 | benzoylurea insecticide; monochlorobenzenes | insect sterilant |
climbazole | [no description available] | low | 0 | 0 | aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes | |
profenofos | [no description available] | low | 0 | 0 | monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
bezafibrate | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
triadimefon | [no description available] | low | 0 | 0 | aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles | |
benoxaprofen | [no description available] | low | 0 | 0 | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist |
triadimenol | [no description available] | low | 0 | 0 | aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite |
closantel | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
fenarimol | [no description available] | low | 0 | 0 | monochlorobenzenes; pyrimidines; tertiary alcohol | |
triflumuron | [no description available] | low | 0 | 0 | aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound | |
butoconazole | [no description available] | low | 0 | 0 | aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes | |
chlorsulfuron | [no description available] | low | 0 | 0 | methoxy-1,3,5-triazine; monochlorobenzenes; N-sulfonylurea | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide |
fluvalinate | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
fomesafen | [no description available] | low | 0 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
2,3,4,4'5-pentachlorobiphenyl | [no description available] | low | 0 | 0 | monochlorobenzenes; pentachlorobiphenyl; tetrachlorobenzene | |
clomazone | [no description available] | low | 0 | 0 | isoxazolidinone; monochlorobenzenes | agrochemical; carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
tepoxalin | [no description available] | low | 0 | 0 | aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles | antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
clopidogrel | [no description available] | low | 0 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
eliprodil | [no description available] | low | 0 | 0 | monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound | |
fluazuron | [no description available] | low | 0 | 0 | aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas | acaricide; mite growth regulator |
flucofuron | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; monochlorobenzenes; organochlorine pesticide; organofluorine pesticide; phenylureas | epitope |
lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid; monochlorobenzenes; pyrazoles | antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
3-chloroperbenzoic acid | [no description available] | low | 0 | 0 | monochlorobenzenes; peroxy acid | |
clofentezine | [no description available] | low | 0 | 0 | monochlorobenzenes; organochlorine acaricide; tetrazine | mite growth regulator; tetrazine acaricide |
tebuconazole | [no description available] | low | 0 | 0 | monochlorobenzenes; tertiary alcohol; triazoles | |
cyproconazole | [no description available] | low | 0 | 0 | cyclopropanes; monochlorobenzenes; tertiary alcohol; triazoles | |
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; triazoles | |
metconazole | [no description available] | low | 0 | 0 | conazole fungicide; cyclopentanols; monochlorobenzenes; tertiary alcohol; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
cloransulam-methyl | [no description available] | low | 0 | 0 | methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide |
2-amino-5-chlorophenol | [no description available] | low | 0 | 0 | monochlorobenzenes; phenols; primary amino compound | |
pencycuron | [no description available] | low | 0 | 0 | monochlorobenzenes; phenylureas | antifungal agrochemical |
fluazinam | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound | allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic |
flufenoxuron | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes | mite growth regulator |
chlorfenapyr | [no description available] | low | 0 | 0 | hemiaminal ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles | proacaricide; proinsecticide |
aclonifen | [no description available] | low | 0 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline | agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
pyraclofos | [no description available] | low | 0 | 0 | monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organosulfur compound; organothiophosphate insecticide; pyrazoles | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
novaluron | [no description available] | low | 0 | 0 | aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound | |
sr141716 | [no description available] | low | 0 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
3-chloro-L-tyrosine | [no description available] | low | 0 | 0 | chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid | biomarker; human metabolite |
rh-0345 | [no description available] | low | 0 | 0 | bisacylhydrazine insecticide; monochlorobenzenes | |
3-chloro-4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; monochlorobenzenes; phenols | mammalian metabolite |
mosapride | [no description available] | low | 0 | 0 | aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound | |
gefitinib | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
vatalanib | [no description available] | low | 0 | 0 | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
carpropamid | [no description available] | low | 0 | 0 | amide fungicide; cyclopropylcarboxamide; monochlorobenzenes | antifungal agrochemical; EC 4.2.1.94 (scytalone dehydratase) inhibitor; melanin synthesis inhibitor; xenobiotic |
canertinib | [no description available] | low | 0 | 0 | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
s 23121 | [no description available] | low | 0 | 0 | aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound | |
tipifarnib | [no description available] | low | 0 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; organobromine compound; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles | acaricide; antifouling biocide; insecticide |
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide | [no description available] | low | 0 | 0 | anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic |
sorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
dabuzalgron | [no description available] | low | 0 | 0 | aromatic ether; imidazoles; monochlorobenzenes; sulfonamide | alpha-adrenergic agonist |
l 778,123 | [no description available] | low | 0 | 0 | imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor |
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea | [no description available] | low | 0 | 0 | monochlorobenzenes; phenylureas; pyrazoles | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | [no description available] | low | 0 | 0 | 6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound | antineoplastic agent; Hsp90 inhibitor |
4-chlorocinnamic acid | [no description available] | low | 0 | 0 | monochlorobenzenes | |
oncrasin-1 | [no description available] | low | 0 | 0 | arenecarbaldehyde; indoles; monochlorobenzenes | antineoplastic agent; apoptosis inducer |
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; pyrimidone; triazoles | |
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide | [no description available] | low | 0 | 0 | monochlorobenzenes; pyrimidone; secondary carboxamide | |
capsazepine | [no description available] | low | 0 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea | [no description available] | low | 0 | 0 | 1,3-thiazoles; monochlorobenzenes; phenylureas; thiophenes | |
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide | [no description available] | low | 0 | 0 | anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles | antifungal agrochemical |
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate | [no description available] | low | 0 | 0 | ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide | |
sr 144528 | [no description available] | low | 0 | 0 | bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide | CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor |
4-chlorobenzoyl coenzyme a | [no description available] | low | 0 | 0 | chlorobenzoyl-CoA; monochlorobenzenes | |
epoxiconazole | [no description available] | low | 0 | 0 | epoxide; monochlorobenzenes; monofluorobenzenes; triazoles | |
l 663536 | [no description available] | low | 0 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
brl 15572 | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist |
ML162 | [no description available] | low | 0 | 0 | monochlorobenzenes; monomethoxybenzene; organochlorine compound; secondary carboxamide; tertiary carboxamide; thiophenes | EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer |
1-[4-(2-chlorophenoxy)butyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether; imidazoles; monochlorobenzenes | |
clopidogrel carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; monochlorobenzenes; tertiary amino compound; thienopyridine | drug metabolite; marine xenobiotic metabolite |
sb 415286 | [no description available] | low | 0 | 0 | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
sc 560 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug |
ver-49009 | [no description available] | low | 0 | 0 | aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols | Hsp90 inhibitor |
jtk-303 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone | HIV-1 integrase inhibitor |
alvocidib | [no description available] | low | 0 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
kn 93 | [no description available] | low | 0 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
8-(3-chlorostyryl)caffeine | [no description available] | low | 0 | 0 | monochlorobenzenes; trimethylxanthine | adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor |
4-chlorochalcone | [no description available] | low | 0 | 0 | chalcones; monochlorobenzenes | |
dimethomorph | [no description available] | low | 0 | 0 | aromatic ether; enamide; monochlorobenzenes; morpholine fungicide; tertiary carboxamide | |
cinidon-ethyl | [no description available] | low | 0 | 0 | ethyl ester; isoindoles; monochlorobenzenes | herbicide |
proguanil | [no description available] | low | 0 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
monorden | [no description available] | low | 0 | 0 | cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols | antifungal agent; metabolite; tyrosine kinase inhibitor |
clovoxamine | [no description available] | low | 0 | 0 | 5-methoxyvalerophenone O-(2-aminoethyl)oxime; monochlorobenzenes | antidepressant |
pyrachlostrobin | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic |
ascofuranone | [no description available] | low | 0 | 0 | dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone | angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite |
uniconazole | [no description available] | low | 0 | 0 | monochlorobenzenes; secondary alcohol; triazoles | |
lumefantrine | [no description available] | low | 0 | 0 | fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine | antimalarial |
strobilurin b | [no description available] | low | 0 | 0 | enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; monochlorobenzenes; monomethoxybenzene | antifungal agent; fungal metabolite; mitochondrial cytochrome-bc1 complex inhibitor |
ekb 569 | [no description available] | low | 0 | 0 | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
prothioconazole | [no description available] | low | 0 | 0 | cyclopropanes; monochlorobenzenes; tertiary alcohol; thiocarbonyl compound; triazoles | |
aminopurvalanol a | [no description available] | low | 0 | 0 | monochlorobenzenes; purvalanol | protein kinase inhibitor |
n-demethylloperamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | drug metabolite |
lenvatinib | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
sd 0006 | [no description available] | low | 0 | 0 | monochlorobenzenes; N-acylpiperidine; primary alcohol; pyrazoles; pyrimidines | |
dapagliflozin | [no description available] | low | 0 | 0 | aromatic ether; C-glycosyl compound; monochlorobenzenes | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
solabegron | [no description available] | low | 0 | 0 | carboxybiphenyl; monochlorobenzenes; secondary alcohol; secondary amino compound; substituted aniline | beta-adrenergic agonist |
azd 6244 | [no description available] | low | 0 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
bibw 2992 | [no description available] | low | 0 | 0 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
ki16425 | [no description available] | low | 0 | 0 | carbamate ester; isoxazoles; monocarboxylic acid; monochlorobenzenes; organic sulfide | |
fluoxastrobin | [no description available] | low | 0 | 0 | aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
regorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
at 7867 | [no description available] | low | 0 | 0 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
erastin | [no description available] | low | 0 | 0 | aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide | antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor |
abt-737 | [no description available] | low | 0 | 0 | aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
benzobicyclon | [no description available] | low | 0 | 0 | aromatic ketone; carbobicyclic compound; cyclic ketone; monochlorobenzenes; organic sulfide; sulfone | |
ascochlorin | [no description available] | low | 0 | 0 | cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid | angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite |
chlorantranilipole | [no description available] | low | 0 | 0 | monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide | ryanodine receptor agonist |
mandipropamid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid amide; monochlorobenzenes; terminal acetylenic compound | |
azd 8931 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
pf 00299804 | [no description available] | low | 0 | 0 | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
MI-63 | [no description available] | low | 0 | 0 | azaspiro compound; monochlorobenzenes; monofluorobenzenes; morpholines; oxindoles; pyrrolidines; secondary carboxamide | apoptosis inducer |
tembotrione | [no description available] | low | 0 | 0 | aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone | agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide |
pd 0348292 | [no description available] | low | 0 | 0 | monochlorobenzenes; monofluorobenzenes; pyridone; pyrrolidines; secondary carboxamide; ureas | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; serine protease inhibitor |
butafenacil | [no description available] | low | 0 | 0 | benzoate ester; diester; monochlorobenzenes; olefinic compound; organofluorine compound | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
empagliflozin | [no description available] | low | 0 | 0 | aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
methampicillin | [no description available] | low | 0 | 0 | monochlorobenzenes; tertiary alcohol; triazoles | brassinosteroid biosynthesis inhibitor |
dafadine B | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines | P450 inhibitor |
azd 7545 | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent |
gdc 0449 | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
navitoclax | [no description available] | low | 0 | 0 | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone | [no description available] | low | 0 | 0 | 1,3-thiazoles; hydrazone; monochlorobenzenes | EC 2.3.1.48 (histone acetyltransferase) inhibitor |
plx4032 | [no description available] | low | 0 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
ulixacaltamide | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide | non-narcotic analgesic; T-type calcium channel blocker |
fluazaindolizine | [no description available] | low | 0 | 0 | aromatic amide; imidazopyridine; monocarboxylic acid amide; monochlorobenzenes; monomethoxybenzene; N-sulfonylcarboxamide; organofluorine pesticide | agrochemical; nematicide |
ML-210 | [no description available] | low | 0 | 0 | C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide | antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug |
abt-199 | [no description available] | low | 0 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
pf 4800567 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; oxanes; pyrazolopyrimidine | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
pelabresib | [no description available] | low | 0 | 0 | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
MS-417 | [no description available] | low | 0 | 0 | methyl ester; monochlorobenzenes; thienotriazolodiazepine | |
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; tertiary alcohol; triazoles | |
ivosidenib | [no description available] | low | 0 | 0 | cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone | [no description available] | low | 0 | 0 | aryl phosphate; monochlorobenzenes; quinazolines | fluorochrome |
liproxstatin-1 | [no description available] | low | 0 | 0 | azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound | antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger |