Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
parathion | [no description available] | medium | 1 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
n-methyl-3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | amphetamines; benzodioxoles | neurotoxin |
tacrine | [no description available] | medium | 1 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
amiodarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
benzyl isothiocyanate | [no description available] | medium | 1 | 0 | benzenes; isothiocyanate | antibacterial drug |
5-methoxypsoralen | [no description available] | medium | 1 | 0 | 5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens | hepatoprotective agent; plant metabolite |
verapamil | [no description available] | medium | 1 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
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 |
diclofenac | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
disulfiram | [no description available] | medium | 1 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
valproic acid | [no description available] | medium | 1 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
furafylline | [no description available] | medium | 1 | 0 | oxopurine | |
halothane | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
phenelzine | [no description available] | medium | 1 | 0 | primary amine | |
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 |
isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
clorgyline | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
nefazodone | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nisoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound | adrenergic uptake inhibitor; antidepressant |
nortriptyline | [no description available] | medium | 1 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
raloxifene | [no description available] | medium | 1 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
secobarbital | [no description available] | medium | 1 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
suprofen | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
thiotepa | [no description available] | medium | 1 | 0 | aziridines | |
ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
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 |
ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
ficusin | [no description available] | medium | 1 | 0 | psoralens | plant metabolite |
acetylene | [no description available] | medium | 5 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
cumene hydroperoxide | [no description available] | medium | 1 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator; copper chelator |
dihydralazine | [no description available] | medium | 1 | 0 | phthalazines | |
beta-nicotyrine | [no description available] | medium | 1 | 0 | pyridines | |
alpha-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin | |
n-methylcarbazole | [no description available] | medium | 1 | 0 | | |
phenethyl isothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
selegiline | [no description available] | medium | 1 | 0 | selegiline; terminal acetylenic compound | geroprotector |
4-ipomeanol | [no description available] | medium | 1 | 0 | aromatic ketone | |
ticrynafen | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
paroxetine | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
oltipraz | [no description available] | medium | 1 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
mifepristone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
zileuton | [no description available] | medium | 1 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
clopidogrel | [no description available] | medium | 1 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
mibefradil | [no description available] | medium | 1 | 0 | tetralins | T-type calcium channel blocker |
irinotecan | [no description available] | medium | 1 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
amprenavir | [no description available] | medium | 1 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
rutecarpine | [no description available] | medium | 1 | 0 | beta-carbolines | |
dexverapamil | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor |
3,5-dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
5-phenyl-1-pentyne | [no description available] | medium | 1 | 0 | | |
clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
nicotine | [no description available] | medium | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
lekoptin | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
lopinavir | [no description available] | medium | 1 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile | [no description available] | medium | 1 | 0 | dimethoxybenzene; nitrile; secondary amino compound | drug metabolite; marine xenobiotic metabolite |
sn 38 | [no description available] | medium | 1 | 0 | delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol | antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
norverapamil | [no description available] | medium | 1 | 0 | aromatic ether; nitrile; polyether; secondary amino compound | |
n-monodemethyldiltiazem | [no description available] | medium | 1 | 0 | benzothiazepine | |
2-ethynylnaphthalene | [no description available] | medium | 2 | 0 | | |
peroxynitrous acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | |
glabridin | [no description available] | medium | 1 | 0 | hydroxyisoflavans | antiplasmodial drug |
3-(2-(2,4,6-trimethylphenyl)thioethyl)-4-methylsydnone | [no description available] | medium | 1 | 0 | | |
schisantherin a | [no description available] | medium | 1 | 0 | tannin | |
1-ethynylpyrene | [no description available] | medium | 1 | 0 | | |
diallyl sulfone | [no description available] | medium | 1 | 0 | | |
l 694,458 | [no description available] | medium | 1 | 0 | | |
limonin | [no description available] | medium | 1 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
9-ethynylphenanthrene | [no description available] | medium | 1 | 0 | | |
dihydrocubebin | [no description available] | medium | 1 | 0 | benzodioxoles; butanediols; glycol; lignan | |
hydrastine | [no description available] | medium | 1 | 0 | isoquinolines | metabolite |
troleandomycin | [no description available] | medium | 1 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
atorvastatin calcium | [no description available] | medium | 1 | 0 | | |
menthofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; monoterpenoid | nematicide; plant metabolite |
ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
yatein | [no description available] | medium | 1 | 0 | benzodioxoles; butan-4-olide; lignan; methoxybenzenes | plant metabolite |
hinokinin | [no description available] | medium | 1 | 0 | benzodioxoles; gamma-lactone; lignan | trypanocidal drug |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
methimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
tamoxifen | [no description available] | medium | 1 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
gestodene | [no description available] | medium | 1 | 0 | steroid | estrogen |
desdimethyltamoxifen | [no description available] | medium | 1 | 0 | stilbenoid | |
silybin | [no description available] | medium | 1 | 0 | | |
bergaptol | [no description available] | medium | 1 | 0 | 5-hydroxyfurocoumarin; psoralens | |
onapristone | [no description available] | medium | 1 | 0 | | |
fluvoxamine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
bergamottin | [no description available] | medium | 1 | 0 | furanocoumarin | metabolite |
l 754394 | [no description available] | medium | 1 | 0 | | |
6',7'-dihydroxybergamottin | [no description available] | medium | 1 | 0 | psoralens | |
lilopristone | [no description available] | medium | 1 | 0 | | |
azamulin | [no description available] | medium | 1 | 0 | | |
1,4-diethynylbenzene | [no description available] | medium | 1 | 0 | | |
4-azidobenzoic acid | [no description available] | medium | 1 | 0 | | |
benzoxazolone | [no description available] | medium | 1 | 0 | benzoxazole | allelochemical; phytoalexin |
4-cymene | [no description available] | medium | 1 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
ruthenium | [no description available] | medium | 1 | 0 | iron group element atom; platinum group metal atom | |
phenanthrenes | [no description available] | medium | 1 | 0 | | |
temafloxacin | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound | |
fleroxacin | [no description available] | medium | 1 | 0 | difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines | antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
ciprofloxacin | [no description available] | medium | 1 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
imipenem, anhydrous | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
cilastatin | [no description available] | medium | 1 | 0 | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic |
cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
lomefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
beta-alanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
penicillin g | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
enoxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
pazufloxacin | [no description available] | medium | 1 | 0 | quinolines | |
panipenem-betamipron | [no description available] | medium | 1 | 0 | | |
carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
cilastatin, imipenem drug combination | [no description available] | medium | 1 | 0 | | |
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 |
4'-ethynyl-2-fluorobiphenyl | [no description available] | medium | 1 | 0 | | |
hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
saccharolactone | [no description available] | medium | 1 | 0 | aldarolactone; delta-lactone | |
tetracycline | [no description available] | medium | 1 | 0 | | |
glucaric acid | [no description available] | medium | 1 | 0 | glucaric acid | antineoplastic agent |
framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |