Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
dinitrochlorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
4-nitrobenzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes; C-nitro compound | |
7-nitroindazole | [no description available] | medium | 5 | 0 | | |
metronidazole | [no description available] | medium | 2 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
niridazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound | |
dinitrofluorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
1-nitronaphthalene | [no description available] | medium | 1 | 0 | mononitronaphthalene | environmental contaminant; mouse metabolite |
1-chloro-2-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | |
2,5-dichloronitrobenzene | [no description available] | medium | 1 | 0 | | |
2-nitroanisole | [no description available] | medium | 1 | 0 | 2-nitroanisoles | carcinogenic agent |
4-nitrobiphenyl | [no description available] | medium | 1 | 0 | biphenyls | |
2,4-dinitroaniline | [no description available] | medium | 1 | 0 | nitroaniline | |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
1,2-dichloro-4-nitrobenzene | [no description available] | medium | 1 | 0 | | |
3-dinitrobenzene | [no description available] | medium | 1 | 0 | dinitrobenzene | neurotoxin |
4-chloronitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound | |
4-nitroanisole | [no description available] | medium | 1 | 0 | 4-nitroanisoles | |
4-nitroacetophenone | [no description available] | medium | 1 | 0 | acetophenones; C-nitro compound | |
1,4-dinitrobenzene | [no description available] | medium | 1 | 0 | dinitrobenzene | |
2,4-dinitroanisole | [no description available] | medium | 1 | 0 | dinitroanisoles | explosive |
2,4,7-trinitrofluorenone | [no description available] | medium | 1 | 0 | | |
1,2-dinitrobenzene | [no description available] | medium | 1 | 0 | dinitrobenzene | |
2-nitrobenzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes; C-nitro compound | |
2-nitronaphthalene | [no description available] | medium | 1 | 0 | mononitronaphthalene | |
9-nitroanthracene | [no description available] | medium | 1 | 0 | anthracenes | |
5-nitroacenaphthene | [no description available] | medium | 1 | 0 | nitronaphthalene | |
erythropoietin | [no description available] | medium | 1 | 0 | dinitronaphthalene | genotoxin |
1,3-dinitronaphthalene | [no description available] | medium | 1 | 0 | dinitronaphthalene | |
5-nitroquinoline | [no description available] | medium | 1 | 0 | | |
2-nitrofluorene | [no description available] | medium | 1 | 0 | nitroarene | carcinogenic agent; mutagen |
2,4-dichloro-1-nitrobenzene | [no description available] | medium | 1 | 0 | | |
5-nitro-2-furaldehyde | [no description available] | medium | 1 | 0 | C-nitro compound; furans | |
2-nitropyrene | [no description available] | medium | 1 | 0 | pyrenes | |
3-nitrofluoranthene | [no description available] | medium | 1 | 0 | nitronaphthalene | |
2-amino-7-nitrofluorene | [no description available] | medium | 1 | 0 | | |
2-bromo-4,6-dinitroaniline | [no description available] | medium | 1 | 0 | | |
5-nitroindazole | [no description available] | medium | 2 | 0 | | |
2,7-dinitrofluorene | [no description available] | medium | 1 | 0 | | |
1-nitropyrene | [no description available] | medium | 1 | 0 | nitroarene | carcinogenic agent |
nsc 520594 | [no description available] | medium | 2 | 0 | | |
2-hydroxy-7-nitrofluorene | [no description available] | medium | 1 | 0 | | |
6-nitrochrysene | [no description available] | medium | 1 | 0 | carbopolycyclic compound | |
2-nitrofluoranthene | [no description available] | medium | 1 | 0 | | |
7-nitrobenzanthracene | [no description available] | medium | 1 | 0 | phenanthrenes | |
3,9-dinitrofluoranthene | [no description available] | medium | 1 | 0 | nitronaphthalene | |
2,7-dinitrofluorenone | [no description available] | medium | 1 | 0 | | |
1,6-dinitropyrene | [no description available] | medium | 1 | 0 | pyrenes | |
1,8-dinitropyrene | [no description available] | medium | 1 | 0 | pyrenes | |
6-nitrobenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
1-nitrobenzo(a)pyrene | [no description available] | medium | 1 | 0 | | |
3-nitrobenzo(a)pyrene | [no description available] | medium | 1 | 0 | | |
1,3-dinitropyrene | [no description available] | medium | 1 | 0 | pyrenes | |
3,7-dinitrofluoranthene | [no description available] | medium | 1 | 0 | nitronaphthalene | |
4-nitropyrene | [no description available] | medium | 1 | 0 | pyrenes | |
3-nitroperylene | [no description available] | medium | 1 | 0 | phenanthrenes | |
1-nitro-2,4-difluorobenzene | [no description available] | medium | 1 | 0 | | |
5-nitroisoquinoline | [no description available] | medium | 1 | 0 | | |
9-nitrophenanthrene | [no description available] | medium | 1 | 0 | | |
5-nitro-1,10-phenanthroline | [no description available] | medium | 1 | 0 | | |
1-fluoro-2-nitrobenzene | [no description available] | medium | 1 | 0 | | |
2-nitrobenzimidazole | [no description available] | medium | 1 | 0 | | |
2,4-dinitrophenylhydrazine | [no description available] | medium | 1 | 0 | C-nitro compound; phenylhydrazines | reagent |
2-nitro-4-phenylenediamine | [no description available] | medium | 1 | 0 | C-nitro compound; primary amino compound | |
5-Nitroisatin | [no description available] | medium | 1 | 0 | indoles | anticoronaviral agent |
2-amino-5-nitrophenol | [no description available] | medium | 1 | 0 | 3-nitrophenols | |
1,2-diamino-4-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; primary amino compound | |
furazolidone | [no description available] | medium | 2 | 0 | | |
nitrofurazone | [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 |
3-bromo-7-nitroindazole | [no description available] | medium | 1 | 0 | | |
indazoles | [no description available] | medium | 4 | 0 | indazole | |
6-aminoindazole | [no description available] | medium | 2 | 0 | indazoles | |
3-indazolinone | [no description available] | medium | 1 | 0 | | |
5-aminoindazole | [no description available] | medium | 2 | 0 | | |
5-Chloro-1H-indole-2,3-dione | [no description available] | medium | 1 | 0 | indoles | anticoronaviral agent |
gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
9-xylosyladenine | [no description available] | medium | 1 | 0 | purine nucleoside | |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human 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 |
malic acid | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
phosphonoacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; phosphonic acids | antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
histamine | [no description available] | medium | 1 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
naringenin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones; trihydroxyflavanone | |
niacinamide | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
niacin | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent; drug metabolite |
1,10-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 1 | 0 | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator; ferroptosis inhibitor |
ro 5-4864 | [no description available] | medium | 1 | 0 | | |
4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
5-fluoroindole-2-carboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
etofylline | [no description available] | medium | 1 | 0 | oxopurine | |
aa 861 | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; acetylenic compound; primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor |
acetarsol | [no description available] | medium | 1 | 0 | acetamides; anilide | |
acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
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 |
amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
aniracetam | [no description available] | medium | 1 | 0 | N-acylpyrrolidine; pyrrolidin-2-ones | |
anisindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant; vitamin K antagonist |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
atenolol | [no description available] | medium | 1 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
bay-k-8644 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls; imidazoles | |
bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
brimonidine | [no description available] | medium | 1 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
bufexamac | [no description available] | medium | 1 | 0 | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
bumetanide | [no description available] | medium | 1 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
butacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
butamben | [no description available] | medium | 1 | 0 | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic |
carbamazepine | [no description available] | medium | 1 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
carisoprodol | [no description available] | medium | 1 | 0 | carbamate ester | muscle relaxant |
chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlorpropamide | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
chlorzoxazone | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
cilostazol | [no description available] | medium | 1 | 0 | lactam; tetrazoles | anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cinoxacin | [no description available] | medium | 1 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
dapsone | [no description available] | medium | 1 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
diazoxide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
dibucaine | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide; diarylmethane | |
diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dipyridamole | [no description available] | medium | 1 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
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 |
domperidone | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
droperidol | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
dipropizine | [no description available] | medium | 1 | 0 | piperazines | |
dyphylline | [no description available] | medium | 1 | 0 | oxopurine; propane-1,2-diols | bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent |
ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
epirizole | [no description available] | medium | 1 | 0 | aromatic ether | |
ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
ethoxzolamide | [no description available] | medium | 1 | 0 | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
felbamate | [no description available] | medium | 1 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls; monocarboxylic acid | non-steroidal anti-inflammatory drug |
felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
flucytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flumazenil | [no description available] | medium | 1 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic | |
fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; 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 |
gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
glipizide | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
glyburide | [no description available] | medium | 1 | 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 |
fluorometholone | [no description available] | medium | 1 | 0 | | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 1 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen; schistosomicide drug |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
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 |
amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indapamide | [no description available] | medium | 1 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
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 |
ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether; isoflavones | bone density conservation agent |
isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
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 |
khellin | [no description available] | medium | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
lamotrigine | [no description available] | medium | 1 | 0 | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic |
lansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
leflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
ly 171883 | [no description available] | medium | 1 | 0 | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist |
edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant; radical scavenger |
meclofenamate sodium anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | |
mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
moclobemide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
acecainide | [no description available] | medium | 1 | 0 | acetamides; benzamides | anti-arrhythmia drug |
nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nialamide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
niflumic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
nimesulide | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator 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 |
cm 7116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; phenols | antitubercular agent |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant |
phenolphthalein | [no description available] | medium | 1 | 0 | phenols | |
4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
phenylbutazone | [no description available] | medium | 1 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
pinacidil | [no description available] | medium | 1 | 0 | pyridines | |
pipemidic acid | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
probenecid | [no description available] | medium | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
probucol | [no description available] | medium | 1 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
prochlorperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
pf 5901 | [no description available] | medium | 1 | 0 | quinolines | |
riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
ritanserin | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
ronidazole | [no description available] | medium | 1 | 0 | C-nitro compound; carbamate ester; imidazoles | antiparasitic agent; antiprotozoal drug |
salicylamide | [no description available] | medium | 1 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
spiperone | [no description available] | medium | 1 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
aldactazide | [no description available] | medium | 1 | 0 | steroid lactone | |
streptonigrin | [no description available] | medium | 1 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
sulfacetamide | [no description available] | medium | 1 | 0 | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
sulfamethizole | [no description available] | medium | 1 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfamethoxazole | [no description available] | medium | 1 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
tegafur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
terazosin | [no description available] | medium | 1 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
thiabendazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
tolazamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
tyramine | [no description available] | medium | 1 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
oxyphenonium bromide | [no description available] | medium | 1 | 0 | | |
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 |
phentolamine | [no description available] | medium | 1 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
neostigmine methylsulfate | [no description available] | medium | 1 | 0 | arylammonium sulfate salt | EC 3.1.1.8 (cholinesterase) inhibitor |
prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
trichlorfon | [no description available] | medium | 1 | 0 | organic phosphonate; organochlorine compound; phosphonic ester | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
estrone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
androsterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
promazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 1 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
benzyltrimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
tolazoline hydrochloride | [no description available] | medium | 1 | 0 | benzenes | |
acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
methoxamine hydrochloride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
papaverine hydrochloride | [no description available] | medium | 1 | 0 | | |
bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
methacholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
fluocinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
17-alpha-hydroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
chlorpromazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
cytarabine hydrochloride | [no description available] | medium | 1 | 0 | | |
trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
medroxyprogesterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; local anaesthetic |
triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
mecoprop | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | |
2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
arsanilic acid | [no description available] | medium | 1 | 0 | organoarsonic acid | |
3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
pyridostigmine bromide | [no description available] | medium | 1 | 0 | pyridinium salt | |
thiodipropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
imipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
edrophonium chloride | [no description available] | medium | 1 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
maltol | [no description available] | medium | 1 | 0 | 4-pyranones | metabolite |
cinchophen | [no description available] | medium | 1 | 0 | quinolines | |
methapyrilene hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
phenazopyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
tetrracaine hydrochloride | [no description available] | medium | 1 | 0 | benzoate ester | |
protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
20-alpha-dihydroprogesterone | [no description available] | medium | 1 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
2-chloroadenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
ethamivan | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
pargyline hydrochloride | [no description available] | medium | 1 | 0 | | |
orphenadrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
fluocinonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
fluorometholone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
medroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
tetrahydrozoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
1,2-naphthoquinone | [no description available] | medium | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
amitriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
naphazoline hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
4,4'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridine | |
doxylamine succinate | [no description available] | medium | 1 | 0 | organic molecular entity | |
monoacetyldapsone | [no description available] | medium | 1 | 0 | acetamides; anilide; secondary carboxamide; sulfone | |
formestane | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
chlorotrianisene | [no description available] | medium | 1 | 0 | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
aminacrine | [no description available] | medium | 1 | 0 | | |
isoxsuprine hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
bethanechol chloride | [no description available] | medium | 1 | 0 | carbamate ester; chloride salt; quaternary ammonium salt | muscarinic agonist |
megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
2-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides; phenols | anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite |
acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
clopamide | [no description available] | medium | 1 | 0 | sulfonamide | |
phosmet | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide; phthalimides | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
malononitrile dimer | [no description available] | medium | 1 | 0 | | |
diphenyl disulfide | [no description available] | medium | 1 | 0 | benzenes | |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 1 | 0 | hydrochloride | |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
2,2'-dipyridylamine | [no description available] | medium | 1 | 0 | | |
pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
flurandrenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
diethylcarbamazine citrate | [no description available] | medium | 1 | 0 | piperazinecarboxamide | |
azacyclonol | [no description available] | medium | 1 | 0 | diarylmethane | |
5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 1 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite; human metabolite |
guaiacoxyacetic acid | [no description available] | medium | 1 | 0 | | |
methylene diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | bone density conservation agent; chelator |
amiloride hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | diuretic; sodium channel blocker |
pimozide | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
flumethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
azaribine | [no description available] | medium | 1 | 0 | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
hydrocortisone hemisuccinate | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; hemisuccinate; tertiary alpha-hydroxy ketone | |
antazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
mebeverine hydrochloride | [no description available] | medium | 1 | 0 | | |
stavudine | [no description available] | medium | 1 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
clidinium bromide | [no description available] | medium | 1 | 0 | | |
diloxanide furoate | [no description available] | medium | 1 | 0 | carboxylic ester; furans; organochlorine compound; tertiary carboxamide | antiamoebic agent; prodrug |
nitroxoline | [no description available] | medium | 1 | 0 | C-nitro compound; monohydroxyquinoline | antifungal agent; antiinfective agent; antimicrobial agent; renal agent |
cladribine | [no description available] | medium | 1 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
beclomethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug |
alverine citrate | [no description available] | medium | 1 | 0 | citrate salt; organoammonium salt | antispasmodic drug; cholinergic antagonist |
cyclogyl | [no description available] | medium | 1 | 0 | | |
metoclopramide hydrochloride | [no description available] | medium | 1 | 0 | | |
isoetharine mesylate | [no description available] | medium | 1 | 0 | | |
hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester; cortisol ester; primary alpha-hydroxy ketone | dermatologic drug; drug allergen |
benserazide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
eedq | [no description available] | medium | 1 | 0 | | |
ornidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; organochlorine compound; secondary alcohol | antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope |
tetridamin | [no description available] | medium | 1 | 0 | | |
metergoline | [no description available] | medium | 1 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
capobenic acid | [no description available] | medium | 1 | 0 | benzamides | |
thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid | anti-inflammatory drug |
frentizole | [no description available] | medium | 1 | 0 | | |
eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
proroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
etomidate | [no description available] | medium | 1 | 0 | imidazoles | |
buspirone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
propafenone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
bezafibrate | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
sq-11725 | [no description available] | medium | 1 | 0 | | |
picobenzide | [no description available] | medium | 1 | 0 | | |
flecainide acetate | [no description available] | medium | 1 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 1 | 0 | dihydropyridine | geroprotector |
triadimenol | [no description available] | medium | 1 | 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 |
captopril | [no description available] | medium | 1 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
terazosin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | | |
pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector |
cerm-1978 | [no description available] | medium | 1 | 0 | hydrochloride | |
dazoxiben hydrochloride | [no description available] | medium | 1 | 0 | | |
lovastatin | [no description available] | medium | 1 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
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 |
tobramycin sulfate | [no description available] | medium | 1 | 0 | | |
benzylaminopurine | [no description available] | medium | 1 | 0 | 6-aminopurines | cytokinin; plant metabolite |
fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
trazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
doxazosin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | geroprotector |
amantadine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
norharman | [no description available] | medium | 1 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
ticlopidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
dopamine hydrochloride | [no description available] | medium | 1 | 0 | catecholamine | |
sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | |
acetylcholine bromide | [no description available] | medium | 1 | 0 | bromide salt; quaternary ammonium salt | |
aloxistatin | [no description available] | medium | 1 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
tryptamide | [no description available] | medium | 1 | 0 | | |
trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
oxyphencyclimine hydrochloride | [no description available] | medium | 1 | 0 | pyrimidines | |
thioridazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | first generation antipsychotic; geroprotector |
diphenylpyraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | cholinergic antagonist; H1-receptor antagonist |
procainamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
siquil | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent |
mepivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; piperidinecarboxamide | local anaesthetic |
oxymetazoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
diphenidol hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
alprenolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
edoxudin | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | |
2-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
6-ketoestradiol | [no description available] | medium | 1 | 0 | | |
17 beta-estradiol hemisuccinate | [no description available] | medium | 1 | 0 | | |
amizyl | [no description available] | medium | 1 | 0 | | |
salicylhydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid; phenols | antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug |
1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
3-fluoro-4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | | |
dyclonine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | topical anaesthetic |
clomipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
prazosin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
mianserin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
miconazole nitrate | [no description available] | medium | 1 | 0 | | |
econazole nitrate | [no description available] | medium | 1 | 0 | | |
2,4-dimethoxybenzaldehyde | [no description available] | medium | 1 | 0 | | |
enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
clobetasone butyrate | [no description available] | medium | 1 | 0 | organic molecular entity | |
loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
guanfacine hydrochloride | [no description available] | medium | 1 | 0 | acetamides | geroprotector |
labetalol hydrochloride | [no description available] | medium | 1 | 0 | salicylamides | |
diflorasone diacetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid | anti-inflammatory drug; antipruritic drug |
acecainide hydrochloride | [no description available] | medium | 1 | 0 | | |
loperamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
maprotiline hydrochloride | [no description available] | medium | 1 | 0 | anthracenes | |
hydroxyzine dihydrochloride | [no description available] | medium | 1 | 0 | | |
betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
secnidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; secondary alcohol | epitope |
ergocornine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
pramoxine hydrochloride | [no description available] | medium | 1 | 0 | aromatic ether | |
butyrylcholine chloride | [no description available] | medium | 1 | 0 | | |
1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
chloropyramine hydrochloride | [no description available] | medium | 1 | 0 | | |
phentolamine mesylate | [no description available] | medium | 1 | 0 | | |
oxybutynin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
2-methylhippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | metabolite |
prilocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | local anaesthetic |
meclizine hydrochloride | [no description available] | medium | 1 | 0 | | |
11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid | |
malic acid, (r)-isomer | [no description available] | medium | 1 | 0 | malic acid | |
21-deoxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone | human blood serum metabolite; mouse metabolite |
estrone 3-methyl ether | [no description available] | medium | 1 | 0 | | |
e-250 | [no description available] | medium | 1 | 0 | | |
rac-glycerol 1-monodecanoate | [no description available] | medium | 1 | 0 | rac-1-monoacylglycerol | |
nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
levcromakalim | [no description available] | medium | 1 | 0 | 1-benzopyran | |
tachistin | [no description available] | medium | 1 | 0 | | |
cortisol octanoate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
armepavine | [no description available] | medium | 1 | 0 | | |
n(6)-phenyladenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
alphaxalone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
tryptoline | [no description available] | medium | 1 | 0 | beta-carbolines | |
gamma-fagarine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
betaxolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; beta-adrenergic antagonist |
Zearalanone | [no description available] | medium | 1 | 0 | macrolide; resorcinols | |
butethamate citrate | [no description available] | medium | 1 | 0 | | |
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | [no description available] | medium | 1 | 0 | piperidines | |
gallopamil hydrochloride | [no description available] | medium | 1 | 0 | | |
histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
1,3-dimethylbenzimidazoline-2-thione | [no description available] | medium | 1 | 0 | | |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | [no description available] | medium | 1 | 0 | | |
dichloro-1,2-diaminocyclohexane platinum complex | [no description available] | medium | 1 | 0 | | |
1,4-di(2'-thienyl)-1,4-butadione | [no description available] | medium | 1 | 0 | | |
idazoxan hydrochloride | [no description available] | medium | 1 | 0 | | |
methyl 5-aminolevulinate hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
antazoline phosphate | [no description available] | medium | 1 | 0 | | |
pridinol mesylate | [no description available] | medium | 1 | 0 | | |
17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
atropine | [no description available] | medium | 1 | 0 | | |
5-fluorotryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
piribedil mesylate | [no description available] | medium | 1 | 0 | | |
serc | [no description available] | medium | 1 | 0 | | |
procyclidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one | [no description available] | medium | 1 | 0 | macrolide | |
cortisone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
equilin | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid | |
adrenosterone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite |
gossypol acetic acid | [no description available] | medium | 1 | 0 | | |
epinastine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
4',6-dihydroxy-5,7-dimethoxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone; dimethoxyflavone | |
2-hydroxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
medrysone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
artisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
chondocurine (1beta)-(+-)-isomer | [no description available] | medium | 1 | 0 | aromatic ether | |
4-methoxyxanthone | [no description available] | medium | 1 | 0 | | |
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | amine | |
ouabain | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
mandelic acid, (s)-isomer | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid; mandelic acid | |
tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 1 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
cortodoxone | [no description available] | medium | 1 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
acebutolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
amiodarone hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
dicyclomine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antispasmodic drug; muscarinic antagonist |
nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
difluprednate | [no description available] | medium | 1 | 0 | butyrate ester; corticosteroid hormone | |
dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
amcinonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal | anti-inflammatory drug |
flumethasone pivalate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; pivalate ester; tertiary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
dihydroergocristine monomesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
tretinoin | [no description available] | medium | 1 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 1 | 0 | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
histidyl-proline diketopiperazine | [no description available] | medium | 1 | 0 | dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine | anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite |
afimoxifene | [no description available] | medium | 1 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
ketoconazole | [no description available] | medium | 1 | 0 | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
aphidicolin | [no description available] | medium | 1 | 0 | tetracyclic diterpenoid | antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite |
azaserine | [no description available] | medium | 1 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside; glycosyl alditol | laxative; metabolite; sweetening agent |
chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
thermospine | [no description available] | medium | 1 | 0 | | |
dibenzylidene acetone | [no description available] | medium | 1 | 0 | | |
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone | [no description available] | medium | 1 | 0 | cycloheptafuran | |
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; benzofurans | |
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
haplamine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
diethylstilbestrol dipropionate | [no description available] | medium | 1 | 0 | | |
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines; sn-glycerol 3-phosphates | Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite |
n-methylscopolamine nitrate | [no description available] | medium | 1 | 0 | | |
propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
phenytoin sodium | [no description available] | medium | 1 | 0 | | |
nsc 4347 | [no description available] | medium | 1 | 0 | | |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide | [no description available] | medium | 1 | 0 | benzamides | |
methamilane methiodide | [no description available] | medium | 1 | 0 | | |
physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt; salicylates | |
pilocarpine nitrate | [no description available] | medium | 1 | 0 | | |
n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one | [no description available] | medium | 1 | 0 | benzoxazine | |
dienestrol | [no description available] | medium | 1 | 0 | | |
methylthiouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
4-methoxy-N-(3-pyridinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector; mouse metabolite |
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester | [no description available] | medium | 1 | 0 | coumarins | |
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide | [no description available] | medium | 1 | 0 | phthalimides | |
urocanic acid | [no description available] | medium | 1 | 0 | urocanic acid | human metabolite |
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid | [no description available] | medium | 1 | 0 | psoralens | |
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 1 | 0 | pyrimidotriazine | |
thiothixene | [no description available] | medium | 1 | 0 | N-methylpiperazine | anticoronaviral agent |
curcumin | [no description available] | medium | 1 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one | [no description available] | medium | 1 | 0 | pyridochromene | |
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester | [no description available] | medium | 1 | 0 | chromones | |
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone | [no description available] | medium | 1 | 0 | quinolines | |
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | quinolines | |
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea | [no description available] | medium | 1 | 0 | benzothiazoles | |
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | [no description available] | medium | 1 | 0 | flavones; tert-butyl ester | |
ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
p-aminosalicylic acid monosodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
mecysteine hydrochloride | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
ethionamide | [no description available] | medium | 1 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
2-(2-furanyl)-4-thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
dihydrosamidine | [no description available] | medium | 1 | 0 | | |
N-(2-methoxycyclohexyl)-3,4-dimethylaniline | [no description available] | medium | 1 | 0 | methylbenzene | |
eskazine | [no description available] | medium | 1 | 0 | | |
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione | [no description available] | medium | 1 | 0 | methylbenzene | |
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester | [no description available] | medium | 1 | 0 | isopropyl ester; piperazines | |
zeranol | [no description available] | medium | 1 | 0 | macrolide | |
monooctanoin | [no description available] | medium | 1 | 0 | 1-monoglyceride; octanoate ester; rac-1-monoacylglycerol | |
trimethoprim | [no description available] | medium | 1 | 0 | | |
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid | [no description available] | medium | 1 | 0 | peptide | |
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
3-acetyl-6-methyl-1H-quinolin-4-one | [no description available] | medium | 1 | 0 | quinolines | |
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone | [no description available] | medium | 1 | 0 | aryl sulfide | |
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide | [no description available] | medium | 1 | 0 | imidazolidines | |
Anthraniloyllycoctonine | [no description available] | medium | 1 | 0 | diterpene alkaloid | |
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid | [no description available] | medium | 1 | 0 | harmala alkaloid | |
diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
biochanin a | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
prostaglandin b1 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
pulmicort | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
timolol maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
zearalenone | [no description available] | medium | 1 | 0 | macrolide; resorcinols | fungal metabolite; mycoestrogen |
estriol 17-glucuronide | [no description available] | medium | 1 | 0 | steroid saponin | |
tranilast | [no description available] | medium | 1 | 0 | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent |
4-hydroxyestradiol | [no description available] | medium | 1 | 0 | 4-hydroxy steroid | metabolite |
menatetrenone | [no description available] | medium | 1 | 0 | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
xylometazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
ketotifen fumarate | [no description available] | medium | 1 | 0 | organoammonium salt | anti-asthmatic drug; H1-receptor antagonist |
dinoprost tromethamine | [no description available] | medium | 1 | 0 | organic molecular entity | |
hydrocortisone valerate | [no description available] | medium | 1 | 0 | cortisol ester; glucocorticoid; primary alpha-hydroxy ketone; valerate ester | |
prostaglandin f2 methyl ester | [no description available] | medium | 1 | 0 | prostanoid | |
2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | | |
perhexiline maleate | [no description available] | medium | 1 | 0 | | |
phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
phenylephrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
mepyramine maleate | [no description available] | medium | 1 | 0 | | |
ethisterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | drug metabolite; progestin |
nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
u-44619 | [no description available] | medium | 1 | 0 | | |
tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
molsidomine | [no description available] | medium | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
rg 13022 | [no description available] | medium | 1 | 0 | | |
styrylquinoline | [no description available] | medium | 1 | 0 | 2-styrylquinoline | |
kavain | [no description available] | medium | 1 | 0 | racemate | glycine receptor antagonist |
enalapril maleate | [no description available] | medium | 1 | 0 | maleate salt | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
trimebutine maleate salt | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
vincristine sulfate | [no description available] | medium | 1 | 0 | | |
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | isoflavones | |
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid | [no description available] | medium | 1 | 0 | peptide | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
naltrexone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
nylidrin hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
triprolidine hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | H1-receptor antagonist |
phentolamine | [no description available] | medium | 1 | 0 | | |
fendiline hydrochloride | [no description available] | medium | 1 | 0 | | |
tiapridex | [no description available] | medium | 1 | 0 | benzamides | |
nab-365 | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
dithiazanine iodide | [no description available] | medium | 1 | 0 | benzothiazoles; organic iodide salt | anthelminthic drug; fluorochrome |
sinequan | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
buflomedil hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
moxisylyte hydrochloride | [no description available] | medium | 1 | 0 | monoterpenoid | |
dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
fluphenazine | [no description available] | medium | 1 | 0 | | |
homochlorocyclizine monohydrochloride | [no description available] | medium | 1 | 0 | | |
butoxamine hydrochloride | [no description available] | medium | 1 | 0 | | |
scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
protriptyline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
emetine hydrochloride | [no description available] | medium | 1 | 0 | | |
epinephrine bitartrate | [no description available] | medium | 1 | 0 | | |
bicuculline methobromide | [no description available] | medium | 1 | 0 | | |
6 beta-hydroxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mammalian metabolite; probe |
butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
androst-16-en-3-one | [no description available] | medium | 1 | 0 | 3-oxo steroid; androstanoid | mammalian metabolite; pheromone |
butaclamol hydrochloride | [no description available] | medium | 1 | 0 | | |
dihydroouabain | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; radiosensitizing agent |
LSM-6455 | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | |
estradiol 17-acetate | [no description available] | medium | 1 | 0 | steroid ester | |
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 1 | 0 | | |
cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide | |
ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
penicillin g potassium | [no description available] | medium | 1 | 0 | organic potassium salt | |
piperacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
cefoxitin sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
nafcillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug |
sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt; organoiodine compound | radioopaque medium |
estrone sulfate, potassium salt | [no description available] | medium | 1 | 0 | | |
cefazolin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
naproxen sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
piroxicam | [no description available] | medium | 1 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
acenocoumarol | [no description available] | medium | 1 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
mobiflex | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
inosine | [no description available] | medium | 1 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
clozapine | [no description available] | medium | 1 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
kf38789 | [no description available] | medium | 1 | 0 | | |
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 |
pralidoxime iodide | [no description available] | medium | 1 | 0 | organic iodide salt; pyridinium salt | cholinergic drug; cholinesterase reactivator |
pralidoxime chloride | [no description available] | medium | 1 | 0 | organic chloride salt; pyridinium salt | cholinergic drug; cholinesterase reactivator |
santonin | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; santonin | plant metabolite |
cyclin d1 | [no description available] | medium | 1 | 0 | | |
1-(2-trifluoromethylphenyl)imidazole | [no description available] | medium | 1 | 0 | imidazoles | |
ng-nitroarginine methyl ester | [no description available] | medium | 2 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
phosphinothricin | [no description available] | medium | 1 | 0 | organic anion | |