Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
deaminooxytocin | [no description available] | medium | 43 | 0 | | |
deaminooxytocin | [no description available] | medium | 43 | 3 | | |
2,5-dihydrophenylalanine | [no description available] | medium | 1 | 0 | non-proteinogenic L-alpha-amino acid | |
lypressin | [no description available] | medium | 155 | 0 | cyclic peptide | |
lypressin | [no description available] | medium | 155 | 2 | cyclic peptide | |
arginine vasopressin | [no description available] | medium | 1,659 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
arginine vasopressin | [no description available] | medium | 1,659 | 22 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
vasopressin, 1-deamino-4-val-8-arg- | [no description available] | medium | 1 | 0 | | |
fertinex | [no description available] | medium | 5 | 0 | | |
deaminooxytocin | [no description available] | high | 6 | 0 | heterodetic cyclic peptide | oxytocic |
opc 21268 | [no description available] | medium | 9 | 0 | | |
oxytocin, thr(4)-gly(7)- | [no description available] | medium | 24 | 0 | | |
atosiban | [no description available] | medium | 184 | 0 | oligopeptide | |
atosiban | [no description available] | medium | 184 | 14 | oligopeptide | |
l 368899 | [no description available] | medium | 1 | 0 | | |
oxypressin | [no description available] | medium | 6 | 0 | | |
relcovaptan | [no description available] | medium | 27 | 0 | proline derivative | |
relcovaptan | [no description available] | medium | 27 | 1 | proline derivative | |
mozavaptan | [no description available] | medium | 6 | 0 | benzamides | aquaretic |
conivaptan | [no description available] | medium | 5 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
argipressin, deaminopenicillamine(1)-o-methyl-tyr(2)- | [no description available] | medium | 4 | 0 | | |
1-((beta-mercapto-beta)beta cyclopentamethylenepropionic acid)-2-(o-ethyl-tyr)-4-val-9-des-gly-arginine vasopressin | [no description available] | medium | 2 | 0 | | |
satavaptan | [no description available] | medium | 6 | 0 | | |
l 371257 | [no description available] | medium | 11 | 0 | | |
ssr 149415 | [no description available] | medium | 1 | 0 | | |
quinacrine | [no description available] | medium | 5 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
chlordecone | [no description available] | medium | 1 | 0 | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant |
aminocaproic acid | [no description available] | medium | 4 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
5,6-dimethylbenzimidazole | [no description available] | medium | 1 | 0 | dimethylbenzimidazole | Escherichia coli metabolite; human metabolite |
hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
parathion | [no description available] | medium | 1 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
pyrazinamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
amitrole | [no description available] | medium | 2 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
phenytoin | [no description available] | medium | 14 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acebutolol | [no description available] | medium | 5 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
acetaminophen | [no description available] | medium | 3 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
acetazolamide | [no description available] | medium | 9 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohexamide | [no description available] | medium | 1 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
albuterol | [no description available] | medium | 18 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
altretamine | [no description available] | medium | 2 | 0 | triamino-1,3,5-triazine | |
amantadine | [no description available] | medium | 3 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
ametantrone | [no description available] | medium | 1 | 0 | | |
aminoglutethimide | [no description available] | medium | 6 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
theophylline | [no description available] | high | 67 | 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 |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
amlodipine | [no description available] | medium | 3 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
aspirin | [no description available] | medium | 19 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
aspirin | [no description available] | medium | 19 | 1 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
atenolol | [no description available] | medium | 8 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | medium | 3 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azinphosmethyl | [no description available] | medium | 1 | 0 | benzotriazines; organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
betaxolol | [no description available] | medium | 2 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bisoprolol | [no description available] | medium | 3 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bromhexine | [no description available] | medium | 2 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
bumetanide | [no description available] | medium | 10 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
bupivacaine | [no description available] | medium | 49 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
bupivacaine | [no description available] | medium | 49 | 13 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
busulfan | [no description available] | medium | 2 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
caffeine | [no description available] | medium | 30 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
caffeine | [no description available] | medium | 30 | 1 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
carbazilquinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
carmofur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
carmustine | [no description available] | medium | 2 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
carteolol | [no description available] | medium | 2 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
celiprolol | [no description available] | medium | 1 | 0 | aromatic ketone | |
chloral hydrate | [no description available] | medium | 2 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
chlorambucil | [no description available] | medium | 3 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chloroquine | [no description available] | medium | 9 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chlorothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chlorpropamide | [no description available] | medium | 6 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 5 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cimetidine | [no description available] | medium | 8 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
clenbuterol | [no description available] | medium | 8 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
clenbuterol | [no description available] | medium | 8 | 1 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
clioquinol | [no description available] | medium | 2 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
cycloleucine | [no description available] | medium | 5 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
dapsone | [no description available] | medium | 3 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
debrisoquin | [no description available] | medium | 2 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
diazoxide | [no description available] | high | 17 | 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 |
dicamba | [no description available] | medium | 1 | 0 | dichlorobenzene; methoxybenzoic acid | agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic |
dichlorphenamide | [no description available] | medium | 2 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
dicyclomine | [no description available] | medium | 3 | 0 | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
diethylcarbamazine | [no description available] | medium | 1 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
diflunisal | [no description available] | medium | 3 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dimercaprol | [no description available] | medium | 6 | 0 | dithiol; primary alcohol | chelator |
dinitolmide | [no description available] | medium | 1 | 0 | dinitrotoluene | |
dipyridamole | [no description available] | medium | 2 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
dipyrone | [no description available] | medium | 1 | 0 | amino sulfonic acid; pyrazoles | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
disopyramide | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
disulfiram | [no description available] | medium | 2 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
valproic acid | [no description available] | medium | 20 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
domperidone | [no description available] | medium | 14 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
ethinamate | [no description available] | medium | 1 | 0 | carbamate ester; terminal acetylenic compound | sedative |
ethosuximide | [no description available] | medium | 3 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
felodipine | [no description available] | medium | 3 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
berotek | [no description available] | medium | 21 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
berotek | [no description available] | medium | 21 | 3 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
flecainide | [no description available] | medium | 4 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine | [no description available] | medium | 4 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
fluorouracil | [no description available] | medium | 4 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
flutamide | [no description available] | medium | 5 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
furosemide | [no description available] | medium | 24 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
gemfibrozil | [no description available] | medium | 2 | 0 | aromatic ether | antilipemic drug |
glutethimide | [no description available] | medium | 2 | 0 | piperidines | |
glyburide | [no description available] | medium | 16 | 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 |
guanethidine | [no description available] | medium | 8 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
halothane | [no description available] | medium | 23 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
halothane | [no description available] | medium | 23 | 1 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
hydralazine | [no description available] | high | 12 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydrochlorothiazide | [no description available] | medium | 8 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | medium | 3 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
ibuprofen | [no description available] | medium | 7 | 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 |
phenelzine | [no description available] | medium | 3 | 0 | primary amine | |
lidocaine | [no description available] | medium | 31 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
lidocaine | [no description available] | medium | 31 | 4 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
amrinone | [no description available] | medium | 3 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indapamide | [no description available] | medium | 3 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
iproniazid | [no description available] | medium | 5 | 0 | carbohydrazide; pyridines | |
isoniazid | [no description available] | medium | 7 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isoproterenol | [no description available] | medium | 119 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
labetalol | [no description available] | medium | 5 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lomustine | [no description available] | medium | 3 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
mechlorethamine | [no description available] | medium | 3 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
mephenytoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione | anticonvulsant |
mepivacaine | [no description available] | medium | 12 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
mepivacaine | [no description available] | medium | 12 | 2 | piperidinecarboxamide | drug allergen; local anaesthetic |
meprobamate | [no description available] | medium | 3 | 0 | organic molecular entity | |
methoxyflurane | [no description available] | medium | 7 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
methyclothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | |
methyl salicylate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
methylphenidate | [no description available] | medium | 10 | 0 | beta-amino acid ester; methyl ester; piperidines | |
methylphenidate | [no description available] | medium | 10 | 2 | beta-amino acid ester; methyl ester; piperidines | |
metoclopramide | [no description available] | medium | 14 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metronidazole | [no description available] | medium | 7 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
mexiletine | [no description available] | medium | 4 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
minoxidil | [no description available] | medium | 3 | 0 | dialkylarylamine; tertiary amino compound | |
mitoxantrone | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
moclobemide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
clorgyline | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
nalidixic acid | [no description available] | medium | 3 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nifedipine | [no description available] | high | 51 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nimodipine | [no description available] | high | 6 | 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] | high | 7 | 1 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nitrendipine | [no description available] | high | 7 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nitroglycerin | [no description available] | high | 19 | 6 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nitroglycerin | [no description available] | high | 19 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nylidrin | [no description available] | medium | 4 | 0 | alkylbenzene | |
oxprenolol | [no description available] | medium | 3 | 0 | aromatic ether | |
4-dichlorobenzene | [no description available] | medium | 1 | 0 | dichlorobenzene | insecticide |
pentamidine | [no description available] | medium | 3 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
perphenazine | [no description available] | medium | 3 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacemide | [no description available] | medium | 1 | 0 | acetamides | |
phenacetin | [no description available] | medium | 2 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
phenobarbital | [no description available] | medium | 6 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phentermine | [no description available] | medium | 3 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
pipobroman | [no description available] | medium | 1 | 0 | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
polythiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | |
prilocaine | [no description available] | medium | 2 | 0 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
primaquine | [no description available] | medium | 3 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
primidone | [no description available] | medium | 3 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
probenecid | [no description available] | medium | 4 | 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 |
procainamide | [no description available] | medium | 8 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procaine | [no description available] | medium | 13 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
procarbazine | [no description available] | medium | 3 | 0 | benzamides; hydrazines | antineoplastic agent |
ranitidine | [no description available] | medium | 2 | 0 | aralkylamine | |
resorcinol | [no description available] | medium | 1 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
semustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent |
sulfadiazine | [no description available] | medium | 2 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; 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; xenobiotic |
streptonigrin | [no description available] | medium | 1 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
sulfacetamide | [no description available] | medium | 2 | 0 | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfaguanidine | [no description available] | medium | 1 | 0 | sulfonamide antibiotic | antiinfective agent |
sulfamethazine | [no description available] | medium | 3 | 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 |
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 |
sulfanilamide | [no description available] | medium | 2 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulfapyridine | [no description available] | medium | 1 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
sulfasalazine | [no description available] | medium | 2 | 0 | | |
sulfathiazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
sulfoxone | [no description available] | medium | 1 | 0 | sulfonamide | |
tegafur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
terbutaline | [no description available] | medium | 24 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
terbutaline | [no description available] | medium | 24 | 2 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
tetracaine | [no description available] | medium | 11 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
thiabendazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
2,2'-thiodiethanol | [no description available] | medium | 1 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
thiotepa | [no description available] | medium | 2 | 0 | aziridines | |
tolazamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolbutamide | [no description available] | medium | 9 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
triamterene | [no description available] | medium | 5 | 0 | pteridines | diuretic; sodium channel blocker |
trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
2,2',2''-trichlorotriethylamine | [no description available] | medium | 1 | 0 | | |
trimethadione | [no description available] | medium | 3 | 0 | oxazolidinone | anticonvulsant; geroprotector |
trimethoprim | [no description available] | medium | 4 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
trimetrexate | [no description available] | medium | 2 | 0 | | |
urethane | [no description available] | medium | 24 | 0 | carbamate ester | fungal metabolite; mutagen |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
reserpine | [no description available] | medium | 47 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
triethylenemelamine | [no description available] | medium | 1 | 0 | 1,3,5-triazines | alkylating agent; insect sterilant |
allobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
penicillamine | [no description available] | medium | 17 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
paramethasone | [no description available] | medium | 2 | 0 | fluorinated steroid | |
azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
penicillin g | [no description available] | medium | 5 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
idoxuridine | [no description available] | medium | 2 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
chloramphenicol | [no description available] | medium | 8 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
vincristine | [no description available] | medium | 2 | 0 | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
physostigmine | [no description available] | medium | 16 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
dromostanolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid | anabolic agent; antineoplastic agent |
cephalothin | [no description available] | medium | 1 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
bromodeoxyuridine | [no description available] | medium | 4 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
thiamine | [no description available] | medium | 1 | 0 | organic chloride salt; vitamin B1 | |
levodopa | [no description available] | medium | 9 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
levodopa | [no description available] | medium | 9 | 1 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
methicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
niridazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound | |
cloxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
colchicine | [no description available] | medium | 41 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
uracil mustard | [no description available] | medium | 1 | 0 | aminouracil; nitrogen mustard | |
oxacillin | [no description available] | medium | 3 | 0 | penicillin | antibacterial agent; antibacterial drug |
cycloheximide | [no description available] | medium | 23 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
fluocinolone acetonide | [no description available] | medium | 2 | 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 |
triaziquone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
ampicillin | [no description available] | medium | 5 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
mannitol | [no description available] | medium | 25 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
cytarabine | [no description available] | medium | 3 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
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 |
sulfobromophthalein sodium | [no description available] | medium | 2 | 0 | organic sodium salt | dye |
dalapon | [no description available] | medium | 1 | 0 | carboxylic acid; organohalogen compound | |
methylpentynol | [no description available] | medium | 1 | 0 | ynone | |
methylprednisolone | [no description available] | medium | 5 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
penicillin v | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | |
isosorbide dinitrate | [no description available] | high | 5 | 2 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
isosorbide dinitrate | [no description available] | high | 5 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
pseudoephedrine | [no description available] | medium | 3 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
fenoprop | [no description available] | medium | 1 | 0 | monocarboxylic acid | phenoxy herbicide |
2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
dicloran | [no description available] | medium | 1 | 0 | aromatic fungicide; dichlorobenzene; nitroaniline | antifungal agrochemical |
phenylhydrazine | [no description available] | medium | 1 | 0 | phenylhydrazines | xenobiotic |
dyrene | [no description available] | medium | 1 | 0 | monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines | antifungal agrochemical |
acrolein | [no description available] | medium | 1 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
tetraethylenepentamine | [no description available] | medium | 1 | 0 | polyazaalkane | copper chelator |
ergotamine | [no description available] | high | 26 | 1 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
ergotamine | [no description available] | high | 26 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
chloranil | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
amiben | [no description available] | medium | 1 | 0 | chlorobenzoic acid | |
monuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes | environmental contaminant; herbicide; xenobiotic |
iminodiacetic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid | chelator |
phenetidine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; substituted aniline | drug metabolite |
diazooxonorleucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid | analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist |
methylpentynol carbamate | [no description available] | medium | 1 | 0 | | |
mechlorethamine n-oxide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
azacitidine | [no description available] | medium | 4 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
linuron | [no description available] | medium | 2 | 0 | dichlorobenzene; phenylureas | agrochemical; environmental contaminant; herbicide; xenobiotic |
carbutamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
betamethasone | [no description available] | medium | 10 | 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-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
hydantoins | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | |
plumbagin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
emetine | [no description available] | medium | 3 | 0 | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
pamaquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
mustard gas | [no description available] | medium | 1 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
medroxyprogesterone | [no description available] | medium | 11 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
apronalide | [no description available] | medium | 1 | 0 | N-acylurea | |
4,6-dinitro-o-cresol | [no description available] | medium | 1 | 0 | dinitrophenol acaricide; hydroxytoluene; nitrotoluene | dinitrophenol insecticide; fungicide; herbicide |
metahexamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
megestrol acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
toyocamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside | antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite |
erythromycin | [no description available] | medium | 5 | 0 | cyclic ketone; erythromycin | |
hadacidin | [no description available] | medium | 1 | 0 | aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid | antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent |
carbophenothion | [no description available] | medium | 1 | 0 | organic sulfide | |
porfiromycin | [no description available] | medium | 1 | 0 | | |
vinblastine | [no description available] | medium | 1 | 0 | | |
deoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
testolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(1),Delta(4)-steroid; seco-androstane | |
ethambutol | [no description available] | medium | 2 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
pyrithioxin | [no description available] | medium | 1 | 0 | methylpyridines | |
nsc 65346 | [no description available] | medium | 1 | 0 | nucleoside analogue | protein kinase inhibitor |
guanazole | [no description available] | medium | 1 | 0 | aromatic amine; triazoles | antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor |
meturedepa | [no description available] | medium | 1 | 0 | phosphoramide | |
ioxynil | [no description available] | medium | 1 | 0 | iodophenol; nitrile | environmental contaminant; herbicide; xenobiotic |
bromoxynil | [no description available] | medium | 1 | 0 | dibromobenzene; hydroxynitrile; phenols | environmental contaminant; herbicide; xenobiotic |
picloram | [no description available] | medium | 1 | 0 | aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid | herbicide; synthetic auxin |
ethoglucid | [no description available] | medium | 1 | 0 | epoxide | |
azaribine | [no description available] | medium | 1 | 0 | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
1,3,5-triglycidyl-s-triazinetrione | [no description available] | medium | 1 | 0 | | |
acetophenazine | [no description available] | medium | 2 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
doxifluridine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
dicloxacillin | [no description available] | medium | 2 | 0 | dichlorobenzene; penicillin | antibacterial drug |
improsan | [no description available] | medium | 1 | 0 | organosulfonic ester | |
streptomycin | [no description available] | medium | 8 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
piperacetazine | [no description available] | medium | 1 | 0 | phenothiazines | |
beclomethasone | [no description available] | medium | 2 | 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 |
carbenicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
floxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
pentaquine | [no description available] | medium | 1 | 0 | | |
zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
isopentenyladenosine | [no description available] | medium | 1 | 0 | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
ancitabine | [no description available] | medium | 1 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
phenacid | [no description available] | medium | 1 | 0 | | |
xipamide | [no description available] | medium | 2 | 0 | benzamides | |
selegiline | [no description available] | medium | 2 | 0 | selegiline; terminal acetylenic compound | geroprotector |
cephalexin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
isosorbide-5-mononitrate | [no description available] | medium | 3 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
isosorbide-5-mononitrate | [no description available] | medium | 3 | 1 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
calusterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
danazol | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
lisuride | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
etoprine | [no description available] | medium | 1 | 0 | | |
daunorubicin | [no description available] | medium | 2 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
razoxane | [no description available] | medium | 1 | 0 | N-alkylpiperazine | |
cephapirin | [no description available] | medium | 4 | 0 | cephalosporin | antibacterial drug |
fludarabine phosphate | [no description available] | medium | 2 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
bromocriptine | [no description available] | medium | 24 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
triamcinolone | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
azetepa | [no description available] | medium | 1 | 0 | phosphoramide | |
cefazolin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
ripazepam | [no description available] | medium | 1 | 0 | benzenes | |
amoxicillin | [no description available] | medium | 5 | 0 | penicillin allergen; penicillin | antibacterial drug |
timolol | [no description available] | medium | 6 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
prednimustine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
amygdalin | [no description available] | medium | 1 | 0 | cyanogenic glycoside; disaccharide derivative; gentiobioside | plant metabolite |
amineptin | [no description available] | medium | 3 | 0 | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
zidovudine | [no description available] | medium | 3 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
paclitaxel | [no description available] | medium | 4 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
etoposide | [no description available] | medium | 3 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
dobutamine | [no description available] | medium | 4 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
ticarcillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
etidocaine | [no description available] | medium | 1 | 0 | amino acid amide | local anaesthetic |
cephradine | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
methyldopa | [no description available] | medium | 6 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
tocainide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 3 | 0 | | |
nimustine | [no description available] | medium | 1 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
butibufen | [no description available] | medium | 2 | 0 | monoterpenoid | |
spiromustine | [no description available] | medium | 1 | 0 | | |
diaziquone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; aziridines; carbamate ester; enamine | alkylating agent; antineoplastic agent |
idarubicin | [no description available] | medium | 2 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
cefonicid | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
piperacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
triciribine phosphate | [no description available] | medium | 1 | 0 | | |
captopril | [no description available] | medium | 7 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
bw-755c | [no description available] | medium | 4 | 0 | | |
cefaclor anhydrous | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug; drug allergen |
alfentanil | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
piritrexim | [no description available] | medium | 2 | 0 | | |
caracemide | [no description available] | medium | 1 | 0 | | |
bambuterol | [no description available] | medium | 2 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
quinapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
cilazapril, anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | |
morzid | [no description available] | medium | 1 | 0 | morpholines | |
febrifugine | [no description available] | medium | 1 | 0 | quinazolines | |
thymine arabinoside | [no description available] | medium | 1 | 0 | N-glycosyl compound | |
psicofuranine | [no description available] | medium | 1 | 0 | psicose derivative; purine nucleoside | |
triciribine | [no description available] | medium | 1 | 0 | nucleoside analogue | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
5-chloro-2'-deoxyuridine | [no description available] | medium | 1 | 0 | | |
bendamustine | [no description available] | medium | 2 | 0 | benzimidazoles | |
trofosfamide | [no description available] | medium | 1 | 0 | ifosfamides | |
4-aminobenzoic acid-n-xyloside | [no description available] | medium | 1 | 0 | | |
fotrin | [no description available] | medium | 1 | 0 | | |
sufosfamide | [no description available] | medium | 1 | 0 | | |
propatyl nitrate | [no description available] | medium | 1 | 0 | nitrate ester | |
dexfenfluramine | [no description available] | medium | 2 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
sulfamidochrysoidine | [no description available] | medium | 1 | 0 | | |
ibopamine | [no description available] | medium | 2 | 0 | benzoate ester; phenols | |
pumitepa | [no description available] | medium | 1 | 0 | | |
elmustine | [no description available] | medium | 1 | 0 | | |
forphenicinol | [no description available] | medium | 1 | 0 | | |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
inproquone | [no description available] | medium | 1 | 0 | | |
neplanocin a | [no description available] | medium | 1 | 0 | | |
1-ethoxysilatrane | [no description available] | medium | 1 | 0 | | |
tretazicar | [no description available] | medium | 1 | 0 | | |
nsc-172755 | [no description available] | medium | 1 | 0 | | |
streptovitacin a | [no description available] | medium | 1 | 0 | | |
cb 10375 | [no description available] | medium | 1 | 0 | | |
carbenicillin indanyl | [no description available] | medium | 1 | 0 | penicillin | |
cb 1837 | [no description available] | medium | 1 | 0 | | |
hexaphosphamide | [no description available] | medium | 1 | 0 | | |
dipin | [no description available] | medium | 1 | 0 | | |
phosphazine | [no description available] | medium | 1 | 0 | | |
diiodobenzotepa | [no description available] | medium | 1 | 0 | | |
icig 1163 | [no description available] | medium | 1 | 0 | | |
bimolane | [no description available] | medium | 1 | 0 | | |
thiodipin | [no description available] | medium | 1 | 0 | | |
fluoxydine | [no description available] | medium | 1 | 0 | | |
imiphos | [no description available] | medium | 1 | 0 | | |
aldophosphamide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
perindopril | [no description available] | medium | 2 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione | [no description available] | medium | 1 | 0 | | |
oxymatrine | [no description available] | medium | 1 | 0 | alkaloid; tertiary amine oxide | |
1,1,2-trichloroethanol | [no description available] | medium | 1 | 0 | | |
iremycin | [no description available] | medium | 1 | 0 | | |
methotrexate | [no description available] | medium | 5 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine | [no description available] | medium | 1 | 0 | | |
hainanensine | [no description available] | medium | 1 | 0 | | |
ritrosulfan | [no description available] | medium | 1 | 0 | | |
damvar | [no description available] | medium | 1 | 0 | | |
benzo-tepa | [no description available] | medium | 1 | 0 | | |
tevenel | [no description available] | medium | 1 | 0 | sulfonamide | |
tac 278 | [no description available] | medium | 1 | 0 | | |
aminopterin | [no description available] | medium | 1 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | | |
atropine | [no description available] | medium | 113 | 0 | | |
atropine | [no description available] | medium | 113 | 1 | | |
deflazacort | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
hexestrol diphosphate | [no description available] | medium | 1 | 0 | | |
carbocysteine | [no description available] | medium | 1 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
demecolcine | [no description available] | medium | 1 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
nsc-89199 | [no description available] | medium | 1 | 0 | carbamate ester; organochlorine compound; steroid phosphate | |
estramustine | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
indicine-n-oxide | [no description available] | medium | 1 | 0 | | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 1 | 0 | | |
pentostatin | [no description available] | medium | 2 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
cefoxitin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
digitoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
netilmicin | [no description available] | medium | 1 | 0 | | |
bacampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
angustibalin | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
metrizamide | [no description available] | medium | 1 | 0 | amino sugar | |
retinol | [no description available] | medium | 9 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
mycophenolic acid | [no description available] | medium | 2 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
clindamycin | [no description available] | medium | 3 | 0 | | |
fosfomycin | [no description available] | medium | 2 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
formycin | [no description available] | medium | 1 | 0 | formycin | antineoplastic agent |
teniposide | [no description available] | medium | 2 | 0 | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
cefamandole | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
tiazofurin | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
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 |
melphalan | [no description available] | medium | 3 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
dipyrone | [no description available] | medium | 3 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
aceglatone | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbenoxolone | [no description available] | medium | 2 | 0 | | |
amygdalin | [no description available] | medium | 1 | 0 | amygdalin | antineoplastic agent; apoptosis inducer; plant metabolite |
mitobronitol | [no description available] | medium | 1 | 0 | alcohol; organobromine compound | |
leuprolide | [no description available] | medium | 2 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
octotropine methylbromide | [no description available] | medium | 2 | 0 | | |
fludarabine | [no description available] | medium | 1 | 0 | purine nucleoside | |
propylthiouracil | [no description available] | medium | 7 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
mercaptopurine | [no description available] | medium | 2 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
thioinosine | [no description available] | medium | 1 | 0 | | |
thiouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
methimazole | [no description available] | medium | 4 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
thioguanine anhydrous | [no description available] | medium | 2 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
digoxin | [no description available] | medium | 6 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
6-thioguanosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
streptozocin | [no description available] | medium | 2 | 0 | | |
ethionamide | [no description available] | medium | 3 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
lincomycin | [no description available] | medium | 3 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
thiocarlide | [no description available] | medium | 1 | 0 | thioureas | |
mannomustine | [no description available] | medium | 1 | 0 | amino alcohol | |
gestodene | [no description available] | medium | 2 | 0 | steroid | estrogen |
glucametacin | [no description available] | medium | 2 | 0 | | |
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea | [no description available] | medium | 1 | 0 | | |
hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
alprostadil | [no description available] | high | 37 | 2 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
alprostadil | [no description available] | high | 37 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
amphotericin b | [no description available] | medium | 8 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
cynarine | [no description available] | medium | 2 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
7432 s | [no description available] | medium | 2 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
codeine | [no description available] | medium | 3 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
cyclosporine | [no description available] | medium | 3 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
dihydrocodeine | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
ly 163892 | [no description available] | medium | 3 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
naloxone | [no description available] | medium | 180 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
naloxone | [no description available] | medium | 180 | 7 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
morphine | [no description available] | high | 162 | 10 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
morphine | [no description available] | high | 162 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
morphine | [no description available] | high | 162 | 7 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
pactamycin | [no description available] | medium | 1 | 0 | | |
anthramycin | [no description available] | medium | 1 | 0 | | |
lacidipine | [no description available] | medium | 2 | 0 | cinnamate ester; tert-butyl ester | |
cytochalasin b | [no description available] | medium | 5 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
vinorelbine | [no description available] | medium | 3 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
irisquinone | [no description available] | medium | 1 | 0 | | |
mitoguazone | [no description available] | medium | 1 | 0 | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
cefixime | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug; drug allergen |
ramipril | [no description available] | medium | 2 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
enalapril | [no description available] | medium | 3 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
nitrofurazone | [no description available] | medium | 1 | 0 | | |
cefuroxime | [no description available] | medium | 2 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
ceftriaxone | [no description available] | medium | 2 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
ceftazidime | [no description available] | medium | 2 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
ceftiofur | [no description available] | medium | 1 | 0 | | |
cilastatin | [no description available] | medium | 1 | 0 | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic |
sibiromycin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine | antineoplastic agent; bacterial metabolite |
ceftizoxime | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 3 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
nitrofurantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
butylscopolammonium bromide | [no description available] | medium | 4 | 0 | | |
butylscopolammonium bromide | [no description available] | medium | 4 | 1 | | |
fumagillin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor |
thioacetazone | [no description available] | medium | 1 | 0 | | |
treosulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | |
gentamicin sulfate | [no description available] | medium | 1 | 0 | | |
nkp 608 | [no description available] | medium | 1 | 0 | | |
ganu | [no description available] | medium | 1 | 0 | | |
metamelfalan | [no description available] | medium | 1 | 0 | | |
vindesine | [no description available] | medium | 1 | 0 | | |
diflucortolone | [no description available] | medium | 2 | 0 | 21-hydroxy steroid | |
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose | [no description available] | medium | 1 | 0 | | |
ro 6-4563 | [no description available] | medium | 1 | 0 | monoterpenoid | |
flucloronide | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
hainanolide | [no description available] | medium | 1 | 0 | | |
gliocladic acid | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid | |
cleistanthin | [no description available] | medium | 1 | 0 | cleistanthins; xylose derivative | alpha-adrenergic antagonist; antihypertensive agent; diuretic |
nimorazole | [no description available] | medium | 1 | 0 | | |
ascorbic acid | [no description available] | medium | 36 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
novobiocin | [no description available] | medium | 1 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
tetracycline | [no description available] | medium | 6 | 0 | | |
chlortetracycline | [no description available] | medium | 4 | 0 | | |
chlortetracycline | [no description available] | medium | 4 | 1 | | |
oxytetracycline, anhydrous | [no description available] | medium | 5 | 0 | | |
minocycline | [no description available] | medium | 6 | 0 | | |
bactobolin | [no description available] | medium | 1 | 0 | amino acid amide | |
mobiflex | [no description available] | medium | 2 | 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 | [no description available] | medium | 2 | 0 | | |
acyclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
rifampin | [no description available] | medium | 3 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
dacarbazine | [no description available] | medium | 2 | 0 | dacarbazine | |
ganciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
allopurinol | [no description available] | medium | 5 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
azaguanine | [no description available] | medium | 1 | 0 | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
alanosine | [no description available] | medium | 1 | 0 | | |
7-deazaguanosine | [no description available] | medium | 1 | 0 | | |
pyrazofurin | [no description available] | medium | 1 | 0 | C-glycosyl compound; pyrazoles | antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
n(10)-methylfolate | [no description available] | medium | 1 | 0 | folic acids | |
5-methyltetrahydrohomofolic acid | [no description available] | medium | 1 | 0 | | |
ninopterin | [no description available] | medium | 1 | 0 | | |
aminooxyacetic acid | [no description available] | medium | 2 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
acetohydroxamic acid | [no description available] | medium | 2 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
alendronate | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
alprazolam | [no description available] | medium | 3 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
amiodarone | [no description available] | medium | 3 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amitriptyline | [no description available] | medium | 5 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
aprindine | [no description available] | medium | 2 | 0 | indanes | |
bepridil | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
bretylium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
verapamil | [no description available] | medium | 40 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
carbamazepine | [no description available] | medium | 3 | 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 |
chlordiazepoxide | [no description available] | medium | 7 | 0 | benzodiazepine | |
chlorpromazine | [no description available] | medium | 29 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
citalopram | [no description available] | medium | 8 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
citalopram | [no description available] | medium | 8 | 1 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clofibrate | [no description available] | medium | 3 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clomipramine | [no description available] | medium | 6 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clomipramine | [no description available] | medium | 6 | 1 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clonidine | [no description available] | medium | 24 | 0 | clonidine; imidazoline | |
clonidine | [no description available] | medium | 24 | 1 | clonidine; imidazoline | |
chlorazepate | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
desipramine | [no description available] | medium | 9 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
diazepam | [no description available] | medium | 30 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diclofenac | [no description available] | medium | 9 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
3,4-dihydroxybenzohydroxamic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
ethacrynic acid | [no description available] | medium | 4 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
ethyl loflazepate | [no description available] | medium | 1 | 0 | organic molecular entity | |
fentanyl | [no description available] | medium | 24 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fentanyl | [no description available] | medium | 24 | 7 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fluoxetine | [no description available] | medium | 34 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
flurbiprofen | [no description available] | medium | 3 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
hydroxyzine | [no description available] | medium | 4 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
imipramine | [no description available] | medium | 10 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
incadronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
indomethacin | [no description available] | medium | 111 | 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 |
nsc 664704 | [no description available] | medium | 1 | 0 | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
ketamine | [no description available] | medium | 15 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketanserin | [no description available] | medium | 3 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
ketoconazole | [no description available] | medium | 2 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoprofen | [no description available] | medium | 2 | 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 |
ketotifen | [no description available] | medium | 2 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
lansoprazole | [no description available] | medium | 3 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lofepramine | [no description available] | medium | 1 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
lorazepam | [no description available] | medium | 4 | 0 | benzodiazepine | |
lorazepam | [no description available] | medium | 4 | 2 | benzodiazepine | |
maprotiline | [no description available] | medium | 2 | 0 | anthracenes | |
mazindol | [no description available] | medium | 1 | 0 | organic molecular entity | |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
methoxyamine | [no description available] | medium | 1 | 0 | organooxygen compound | |
mianserin | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
nabumetone | [no description available] | medium | 2 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nomifensine | [no description available] | medium | 3 | 0 | isoquinolines | dopamine uptake inhibitor |
norfloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
nortriptyline | [no description available] | medium | 2 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
olomoucine | [no description available] | medium | 1 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
omeprazole | [no description available] | medium | 4 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
oxatomide | [no description available] | medium | 1 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
oxazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxazepam | [no description available] | medium | 3 | 1 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxyphenbutazone | [no description available] | medium | 1 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
aminosalicylic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid; phenols | antitubercular agent |
pamidronate | [no description available] | medium | 2 | 0 | phosphonoacetic acid | |
pantoprazole | [no description available] | medium | 3 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
papaverine | [no description available] | high | 46 | 1 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
papaverine | [no description available] | high | 46 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
phenindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant |
phenylbutazone | [no description available] | medium | 2 | 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 |
promethazine | [no description available] | medium | 11 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
promethazine | [no description available] | medium | 11 | 1 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propranolol | [no description available] | high | 113 | 5 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
propranolol | [no description available] | high | 113 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
pyrimethamine | [no description available] | medium | 3 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rabeprazole | [no description available] | medium | 3 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
risedronic acid | [no description available] | medium | 2 | 0 | pyridines | |
sulforaphane | [no description available] | medium | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
thioridazine | [no description available] | medium | 2 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
ticlopidine | [no description available] | medium | 2 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
triazolam | [no description available] | medium | 2 | 0 | triazolobenzodiazepine | sedative |
trifluoperazine | [no description available] | medium | 6 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
cetrimonium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
phenformin | [no description available] | medium | 3 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
sterogenol | [no description available] | medium | 1 | 0 | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
cycloguanil | [no description available] | medium | 1 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
dextropropoxyphene | [no description available] | medium | 4 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
sulfadoxine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
pyrodifenium bromide | [no description available] | medium | 1 | 0 | organic molecular entity | |
amopyroquine | [no description available] | medium | 1 | 0 | | |
levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
halazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
dexchlorpheniramine | [no description available] | medium | 2 | 0 | chlorphenamine | |
halofantrine | [no description available] | medium | 1 | 0 | phenanthrenes | |
hydroxymaprotilin | [no description available] | medium | 1 | 0 | | |
diltiazem | [no description available] | high | 8 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
pinazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
paroxetine | [no description available] | medium | 9 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
paroxetine | [no description available] | medium | 9 | 1 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
staurosporine | [no description available] | medium | 1 | 0 | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
ibandronic acid | [no description available] | medium | 2 | 0 | | |
trovafloxacin | [no description available] | medium | 2 | 0 | | |
ursolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
propamidine | [no description available] | medium | 1 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
sinefungin | [no description available] | medium | 1 | 0 | adenosines; non-proteinogenic alpha-amino acid | antifungal agent; antimicrobial agent |
droxicam | [no description available] | medium | 2 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
etofibrate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
synthalin a | [no description available] | medium | 1 | 0 | guanidines | hepatotoxic agent; hypoglycemic agent; nephrotoxin |
zoledronic acid | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
pirlindole | [no description available] | medium | 1 | 0 | carbazoles | |
artemether | [no description available] | medium | 2 | 0 | artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid | antimalarial |
6-amino-1-hydroxyhexane-1,1-diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
rexigen | [no description available] | medium | 1 | 0 | | |
aceclofenac | [no description available] | medium | 2 | 0 | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
clociguanil | [no description available] | medium | 1 | 0 | | |
tebuquine | [no description available] | medium | 1 | 0 | | |
atovaquone | [no description available] | medium | 2 | 0 | hydroxy-1,2-naphthoquinone | |
cryptolepine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate | [no description available] | medium | 1 | 0 | | |
desethylchloroquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
wr 159412 | [no description available] | medium | 1 | 0 | | |
cinchonidine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
benzyloxyamine | [no description available] | medium | 1 | 0 | | |
pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
tafenoquine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound | |
desethylamodiaquine | [no description available] | medium | 1 | 0 | | |
n,n-dideethylchloroquine | [no description available] | medium | 1 | 0 | | |
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine | [no description available] | medium | 1 | 0 | | |
ne 58051 | [no description available] | medium | 1 | 0 | | |
wr 242511 | [no description available] | medium | 1 | 0 | | |
naproxen | [no description available] | medium | 6 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
olpadronic acid | [no description available] | medium | 1 | 0 | | |
lupeol | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory drug; plant metabolite |
neocryptolepine | [no description available] | medium | 1 | 0 | | |
1-hydroxypentane-1,1-bisphosphonate | [no description available] | medium | 1 | 0 | | |
cimadronate | [no description available] | medium | 1 | 0 | | |
1,1-hydroxyoctanodiphosphonate | [no description available] | medium | 1 | 0 | | |
quinidine | [no description available] | medium | 10 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
canaline | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
Tetrahydropiperine | [no description available] | medium | 1 | 0 | benzodioxoles | |
piperine | [no description available] | medium | 1 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
ilepcimide | [no description available] | medium | 1 | 0 | benzodioxoles | |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
sulindac | [no description available] | medium | 2 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
artemotil | [no description available] | medium | 1 | 0 | artemisinin derivative | |
quinine | [no description available] | medium | 12 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
quinine | [no description available] | medium | 12 | 1 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
alsterpaullone | [no description available] | medium | 1 | 0 | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
usambarensine | [no description available] | medium | 1 | 0 | harmala alkaloid | |
triprolidine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
licochalcone a | [no description available] | medium | 1 | 0 | chalcones | |
stilbamidine | [no description available] | medium | 1 | 0 | | |
piperic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
proguanil | [no description available] | medium | 2 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
nifuroxime | [no description available] | medium | 1 | 0 | | |
nifurtimox | [no description available] | medium | 1 | 0 | nitrofuran antibiotic | |
roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant; xenobiotic |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
chlorproguanil | [no description available] | medium | 1 | 0 | dichlorobenzene | |
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide | [no description available] | medium | 1 | 0 | | |
artenimol | [no description available] | medium | 1 | 0 | | |
4-phenoxyphenoxyethyl thiocyanate | [no description available] | medium | 1 | 0 | | |
deoxoartemisinin | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 1 | 0 | | |
valproate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | geroprotector |
butyrolactone i | [no description available] | medium | 1 | 0 | butenolide | |
piroxicam | [no description available] | medium | 2 | 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 |
rolitetracycline | [no description available] | medium | 2 | 0 | | |
clozapine | [no description available] | medium | 12 | 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 |
clozapine | [no description available] | medium | 12 | 1 | 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 |
thiolactomycin | [no description available] | medium | 1 | 0 | | |
3,4,5-trihydroxybenzamidoxime | [no description available] | medium | 1 | 0 | benzenetriol | |
deamino arginine vasopressin | [no description available] | high | 113 | 1 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
deamino arginine vasopressin | [no description available] | high | 113 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
carbetocin | [no description available] | high | 223 | 0 | heterodetic cyclic peptide | oxytocic |
carbetocin | [no description available] | high | 223 | 58 | heterodetic cyclic peptide | oxytocic |
antipyrine | [no description available] | medium | 2 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
pindolol | [no description available] | high | 6 | 1 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pindolol | [no description available] | high | 6 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
3-nitrobenzoic acid | [no description available] | medium | 1 | 0 | | |
way 267464 | [no description available] | medium | 3 | 0 | | |
betaine | [no description available] | medium | 1 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
bupropion | [no description available] | medium | 2 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
bupropion | [no description available] | medium | 2 | 1 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
niacin | [no description available] | high | 4 | 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 |
pyridoxine | [no description available] | medium | 5 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyridoxine | [no description available] | medium | 5 | 1 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | medium | 6 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
alaproclate | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
albendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
alfuzosin | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
ambenonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
amifostine anhydrous | [no description available] | medium | 1 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
p-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
anastrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
baclofen | [no description available] | medium | 11 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
bendazac | [no description available] | medium | 1 | 0 | indazoles; monocarboxylic acid | non-steroidal anti-inflammatory drug; radical scavenger |
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 |
bethanechol | [no description available] | medium | 4 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
biperiden | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
buspirone | [no description available] | medium | 4 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
secbutabarbital | [no description available] | medium | 1 | 0 | barbiturates | |
candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
carbinoxamine | [no description available] | medium | 1 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
carisoprodol | [no description available] | medium | 1 | 0 | carbamate ester | muscle relaxant |
carvedilol | [no description available] | medium | 1 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
cetirizine | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlorcyclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
chlormezanone | [no description available] | medium | 1 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
chlorpheniramine | [no description available] | medium | 4 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
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 |
ciprofloxacin | [no description available] | medium | 3 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
clomiphene | [no description available] | medium | 1 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
clonazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
clotrimazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
cyclobenzaprine | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
cyclofenil | [no description available] | medium | 1 | 0 | organic molecular entity | |
cyproheptadine | [no description available] | medium | 3 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
amphetamine | [no description available] | medium | 10 | 0 | primary amine | |
amphetamine | [no description available] | medium | 10 | 1 | primary amine | |
pentetic acid | [no description available] | medium | 2 | 0 | pentacarboxylic acid | copper chelator |
diphenhydramine | [no description available] | medium | 8 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
donepezil | [no description available] | medium | 1 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
doxapram | [no description available] | medium | 1 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
doxazosin | [no description available] | high | 2 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
doxepin | [no description available] | medium | 1 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
doxylamine | [no description available] | medium | 1 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
droperidol | [no description available] | medium | 6 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
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 |
edrophonium | [no description available] | medium | 1 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
estazolam | [no description available] | medium | 1 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
ethotoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
felbamate | [no description available] | medium | 1 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fenoldopam | [no description available] | medium | 1 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
fenoprofen | [no description available] | medium | 1 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fexofenadine | [no description available] | medium | 1 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
fipexide | [no description available] | medium | 1 | 0 | benzodioxoles | |
flavoxate | [no description available] | medium | 3 | 0 | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flumazenil | [no description available] | medium | 2 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
fluorescite | [no description available] | medium | 1 | 0 | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
flurazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
fomepizole | [no description available] | medium | 1 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
foscarnet | [no description available] | medium | 1 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
gabapentin | [no description available] | medium | 3 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
gabapentin | [no description available] | medium | 3 | 1 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glafenine | [no description available] | medium | 1 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
glimepiride | [no description available] | medium | 1 | 0 | sulfonamide | |
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 |
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | medium | 1 | 0 | benzenes | |
granisetron | [no description available] | medium | 1 | 0 | aromatic amide; indazoles | |
guaifenesin | [no description available] | medium | 4 | 0 | methoxybenzenes | |
guanfacine | [no description available] | medium | 1 | 0 | acetamides | |
guanidine | [no description available] | medium | 2 | 0 | carboxamidine; guanidines; one-carbon compound | |
haloperidol | [no description available] | medium | 26 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
hydroxychloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
ioversol | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
avapro | [no description available] | medium | 1 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
isocarboxazid | [no description available] | medium | 1 | 0 | benzenes | |
isoxsuprine | [no description available] | medium | 11 | 0 | alkylbenzene | |
isradipine | [no description available] | medium | 3 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
ketorolac | [no description available] | medium | 1 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
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 |
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 |
letrozole | [no description available] | medium | 5 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
lomefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
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 |
losartan | [no description available] | medium | 12 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
loxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
mecamylamine | [no description available] | medium | 4 | 0 | primary aliphatic amine | |
meclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
meclofenamic acid | [no description available] | medium | 7 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
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 |
memantine | [no description available] | medium | 2 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
mepenzolate | [no description available] | medium | 1 | 0 | diarylmethane | |
meperidine | [no description available] | medium | 71 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
meperidine | [no description available] | medium | 71 | 8 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mesalamine | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
mesoridazine | [no description available] | medium | 1 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
metaproterenol | [no description available] | medium | 12 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
metformin | [no description available] | medium | 3 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metformin | [no description available] | medium | 3 | 1 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
methadone | [no description available] | medium | 3 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
metolazone | [no description available] | medium | 1 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
metoprolol | [no description available] | medium | 8 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
metyrapone | [no description available] | medium | 9 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
midazolam | [no description available] | medium | 5 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
midodrine | [no description available] | medium | 1 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
milrinone | [no description available] | medium | 1 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
mirtazapine | [no description available] | medium | 1 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
mitotane | [no description available] | medium | 1 | 0 | diarylmethane | |
modafinil | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfoxide | |
moxisylyte | [no description available] | medium | 1 | 0 | monoterpenoid | |
nadolol | [no description available] | medium | 1 | 0 | tetralins | |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
nefazodone | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
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 | |
nicardipine | [no description available] | medium | 13 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nilutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nimesulide | [no description available] | medium | 3 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nisoldipine | [no description available] | medium | 2 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nizatidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
ondansetron | [no description available] | medium | 2 | 0 | carbazoles | |
orphenadrine | [no description available] | medium | 1 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxybutynin | [no description available] | medium | 1 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
pentobarbital | [no description available] | medium | 24 | 0 | barbiturates | GABAA receptor agonist |
pentoxifylline | [no description available] | medium | 2 | 0 | oxopurine | |
perhexiline | [no description available] | medium | 1 | 0 | piperidines | cardiovascular drug |
phenoxybenzamine | [no description available] | medium | 45 | 0 | aromatic amine | |
4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
pioglitazone | [no description available] | medium | 1 | 0 | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic |
duodote | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
prazosin | [no description available] | medium | 14 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
prochlorperazine | [no description available] | medium | 3 | 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 |
procyclidine | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
propafenone | [no description available] | medium | 1 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
propantheline | [no description available] | medium | 2 | 0 | xanthenes | |
propofol | [no description available] | medium | 5 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propofol | [no description available] | medium | 5 | 1 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
protriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant |
pyridostigmine | [no description available] | medium | 1 | 0 | pyridinium ion | |
sch 16134 | [no description available] | medium | 1 | 0 | benzodiazepine | |
quetiapine | [no description available] | medium | 1 | 0 | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist |
raloxifene | [no description available] | medium | 1 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
risperidone | [no description available] | medium | 7 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
risperidone | [no description available] | medium | 7 | 1 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
rizatriptan | [no description available] | medium | 1 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
ropinirole | [no description available] | medium | 1 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
salicylsalicylic acid | [no description available] | medium | 2 | 0 | benzoate ester; benzoic acids; phenols; salicylates | antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
secobarbital | [no description available] | medium | 2 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
sibutramine | [no description available] | medium | 1 | 0 | organochlorine compound; tertiary amino compound | anti-obesity agent; serotonin uptake inhibitor |
sotalol | [no description available] | medium | 2 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
imatinib | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
vorinostat | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
succinylcholine | [no description available] | medium | 12 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
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 |
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
sumatriptan | [no description available] | medium | 2 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
temazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
terazosin | [no description available] | medium | 1 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
thalidomide | [no description available] | medium | 1 | 0 | phthalimides; piperidones | |
tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
tiopronin | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
tizanidine | [no description available] | medium | 1 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
tolmetin | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
ultram | [no description available] | medium | 1 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
tranexamic acid | [no description available] | medium | 27 | 0 | amino acid | |
tranexamic acid | [no description available] | medium | 27 | 11 | amino acid | |
trazodone | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
trihexyphenidyl | [no description available] | medium | 1 | 0 | amine | |
trimethobenzamide | [no description available] | medium | 2 | 0 | benzamides; tertiary amino compound | antiemetic |
trimipramine | [no description available] | medium | 1 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
troglitazone | [no description available] | medium | 1 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
tyramine | [no description available] | medium | 9 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
venlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
vigabatrin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
ici 204,219 | [no description available] | medium | 1 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zaleplon | [no description available] | medium | 1 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zolpidem | [no description available] | medium | 3 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
zonisamide | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
prednisolone | [no description available] | medium | 9 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
phentolamine | [no description available] | high | 60 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
sorbitol | [no description available] | medium | 2 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
thyroxine | [no description available] | medium | 48 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
dextroamphetamine | [no description available] | medium | 4 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
spironolactone | [no description available] | medium | 7 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
cysteine | [no description available] | medium | 1 | 0 | cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite |
prednisone | [no description available] | medium | 5 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
estrone | [no description available] | medium | 42 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
estrone | [no description available] | medium | 42 | 4 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
oxandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
pilocarpine | [no description available] | medium | 10 | 0 | pilocarpine | antiglaucoma drug |
triiodothyronine | [no description available] | medium | 17 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
glutamine | [no description available] | medium | 14 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
apomorphine | [no description available] | medium | 59 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
apomorphine | [no description available] | medium | 59 | 2 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
methyltestosterone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
tetrabenazine | [no description available] | medium | 3 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
kanamycin a | [no description available] | medium | 3 | 0 | kanamycins | bacterial metabolite |
edetic acid | [no description available] | medium | 25 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
cysteamine | [no description available] | medium | 6 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
mepazine | [no description available] | medium | 1 | 0 | phenothiazines | |
calcium acetate | [no description available] | medium | 1 | 0 | calcium salt | chelator |
methionine | [no description available] | medium | 12 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
mebanazine | [no description available] | medium | 1 | 0 | benzenes | |
cycloserine | [no description available] | medium | 2 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
benziodarone | [no description available] | medium | 1 | 0 | aromatic ketone | |
arginine | [no description available] | medium | 133 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
arginine | [no description available] | medium | 133 | 2 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
perflutren | [no description available] | medium | 1 | 0 | fluoroalkane; fluorocarbon | |
fluoxymesterone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
fluoxymesterone | [no description available] | medium | 2 | 1 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
methsuximide | [no description available] | medium | 1 | 0 | organic molecular entity | |
tromethamine | [no description available] | medium | 6 | 0 | primary amino compound; triol | buffer |
tromethamine | [no description available] | medium | 6 | 2 | primary amino compound; triol | buffer |
brompheniramine | [no description available] | medium | 1 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
diethylpropion | [no description available] | medium | 2 | 0 | aromatic ketone; tertiary amine | appetite depressant |
benzonatate | [no description available] | medium | 1 | 0 | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive |
methylergonovine | [no description available] | medium | 108 | 0 | ergoline alkaloid | |
methylergonovine | [no description available] | medium | 108 | 16 | ergoline alkaloid | |
cinchophen | [no description available] | medium | 2 | 0 | quinolines | |
nafcillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
methohexital | [no description available] | medium | 6 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
ephedrine | [no description available] | medium | 14 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
ephedrine | [no description available] | medium | 14 | 2 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
aminophylline | [no description available] | medium | 13 | 0 | mixture | bronchodilator agent; cardiotonic drug |
galantamine | [no description available] | medium | 4 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
galantamine | [no description available] | medium | 4 | 2 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
nandrolone decanoate | [no description available] | medium | 1 | 0 | steroid ester | |
chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
4-hydroxybutyric acid | [no description available] | medium | 2 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
4-hydroxybutyric acid | [no description available] | medium | 2 | 1 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
dihydroergotamine | [no description available] | medium | 8 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
dimenhydrinate | [no description available] | medium | 4 | 0 | diarylmethane | |
methamphetamine | [no description available] | medium | 40 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
methamphetamine | [no description available] | medium | 40 | 5 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
levocarnitine | [no description available] | medium | 1 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
sulfanilylurea | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
lactulose | [no description available] | medium | 1 | 0 | glycosylfructose | gastrointestinal drug; laxative |
pamabrom | [no description available] | medium | 1 | 0 | | |
acetylcysteine | [no description available] | medium | 2 | 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 |
levonorgestrel | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
diphenoxylate | [no description available] | medium | 1 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal drug |
vancomycin | [no description available] | medium | 2 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
d-alpha tocopherol | [no description available] | medium | 6 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
ibufenac | [no description available] | medium | 1 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
metaxalone | [no description available] | medium | 1 | 0 | aromatic ether | |
spectinomycin | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
dronabinol | [no description available] | medium | 5 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
amiloride | [no description available] | medium | 28 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
pimozide | [no description available] | medium | 2 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
dexbrompheniramine | [no description available] | medium | 1 | 0 | brompheniramine | anti-allergic agent; H1-receptor antagonist |
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 |
megestrol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
cladribine | [no description available] | medium | 1 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
clomacran | [no description available] | medium | 1 | 0 | acridines | |
methenamine hippurate | [no description available] | medium | 1 | 0 | N-acylglycine | |
olsalazine | [no description available] | medium | 1 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
sodium thiosulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
clemastine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
fenclozic acid | [no description available] | medium | 1 | 0 | | |
laxagetten 4,4'-diacetoxydiphenylpyridylemethane | [no description available] | medium | 1 | 0 | | |
alclofenac | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
oxyphenisatin | [no description available] | medium | 1 | 0 | indoles | |
fludrocortisone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid | adrenergic agent; anti-inflammatory drug |
ursodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
clometacin | [no description available] | medium | 1 | 0 | N-acylindole | |
oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
carbidopa | [no description available] | medium | 1 | 0 | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
moricizine | [no description available] | medium | 1 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
pirprofen | [no description available] | medium | 1 | 0 | pyrroline | |
penbutolol | [no description available] | medium | 1 | 0 | ethanolamines | |
ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
amikacin | [no description available] | medium | 1 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
ticrynafen | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
vecuronium | [no description available] | medium | 1 | 0 | acetate ester; androstane; quaternary ammonium ion | drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist |
benoxaprofen | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist |
exifone | [no description available] | medium | 1 | 0 | benzophenones | |
mefloquine | [no description available] | medium | 1 | 0 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
nitazoxanide | [no description available] | medium | 1 | 0 | benzamides; carboxylic ester | |
sufentanil | [no description available] | medium | 7 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
sufentanil | [no description available] | medium | 7 | 4 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
acarbose | [no description available] | medium | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent |
torsemide | [no description available] | medium | 1 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
cefoperazone | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
atracurium | [no description available] | medium | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
pergolide | [no description available] | medium | 1 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
cefadroxil anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
fialuridine | [no description available] | medium | 1 | 0 | | |
miglustat | [no description available] | medium | 1 | 0 | piperidines; tertiary amino compound | anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
haloperidol decanoate | [no description available] | medium | 1 | 0 | organic molecular entity | |
cefotetan | [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 |
tolrestat | [no description available] | medium | 1 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
simvastatin | [no description available] | medium | 1 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
balsalazide | [no description available] | medium | 1 | 0 | | |
pravastatin | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
cabergoline | [no description available] | medium | 3 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
atomoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
alpidem | [no description available] | medium | 1 | 0 | imidazoles | |
mifepristone | [no description available] | medium | 57 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
mifepristone | [no description available] | medium | 57 | 13 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
fosphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
finasteride | [no description available] | medium | 3 | 0 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
esmolol | [no description available] | medium | 1 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
aromasil | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
zileuton | [no description available] | medium | 1 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
clopidogrel | [no description available] | medium | 1 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
topotecan | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
bromfenac | [no description available] | medium | 1 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
ibutilide | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
aripiprazole | [no description available] | medium | 8 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
remifentanil | [no description available] | medium | 2 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
atorvastatin | [no description available] | medium | 1 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lamivudine | [no description available] | medium | 1 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
duloxetine | [no description available] | medium | 1 | 0 | duloxetine | |
irinotecan | [no description available] | medium | 2 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
ziprasidone | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
zolmitriptan | [no description available] | medium | 1 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
tasosartan | [no description available] | medium | 1 | 0 | biphenyls | |
tiludronic acid | [no description available] | medium | 1 | 0 | organochlorine compound | |
tirofiban | [no description available] | medium | 1 | 0 | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
capecitabine | [no description available] | medium | 1 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
adenosine | [no description available] | high | 19 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
cefprozil | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
fenofibric acid | [no description available] | medium | 1 | 0 | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
plerixafor | [no description available] | medium | 1 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
amprenavir | [no description available] | medium | 1 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
oseltamivir | [no description available] | medium | 1 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
histamine phosphate | [no description available] | medium | 1 | 0 | phosphate salt | histamine agonist |
tilbroquinol | [no description available] | medium | 1 | 0 | organohalogen compound; quinolines | |
ebrotidine | [no description available] | medium | 1 | 0 | sulfonamide | |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
sertraline | [no description available] | medium | 2 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
acamprosate | [no description available] | medium | 1 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
isaxonine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
hp 873 | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
dexrazoxane | [no description available] | medium | 1 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
fenoxypropazine | [no description available] | medium | 1 | 0 | aromatic ether | |
voriconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
doripenem | [no description available] | medium | 2 | 0 | carbapenems | |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
frovatriptan | [no description available] | medium | 1 | 0 | carbazoles | |
eletriptan | [no description available] | medium | 1 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
rosiglitazone | [no description available] | medium | 1 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
bexarotene | [no description available] | medium | 1 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
clarithromycin | [no description available] | medium | 2 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
moexipril | [no description available] | medium | 1 | 0 | peptide | |
mci 9038 | [no description available] | medium | 1 | 0 | peptide | |
fulvestrant | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
bosentan anhydrous | [no description available] | medium | 1 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
tadalafil | [no description available] | medium | 1 | 0 | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
nitisinone | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
clofarabine | [no description available] | medium | 1 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
pramipexole | [no description available] | medium | 2 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
valdecoxib | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
almotriptan | [no description available] | medium | 1 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
gefitinib | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
desvenlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
tamsulosin | [no description available] | medium | 1 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
rufinamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
olmesartan medoxomil | [no description available] | medium | 1 | 0 | biphenyls | |
dexpanthenol | [no description available] | medium | 1 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
fosamprenavir | [no description available] | medium | 1 | 0 | sulfonamide | prodrug |
febuxostat | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
escitalopram | [no description available] | medium | 1 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
10-propargyl-10-deazaaminopterin | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
atazanavir | [no description available] | medium | 1 | 0 | carbohydrazide | antiviral drug; HIV protease inhibitor |
levofloxacin | [no description available] | medium | 1 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
ezetimibe | [no description available] | medium | 1 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
ertapenem | [no description available] | medium | 1 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
cox 189 | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
moxifloxacin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
pralnacasan | [no description available] | medium | 1 | 0 | | |
clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
solifenacin | [no description available] | medium | 1 | 0 | isoquinolines | |
dexmethylphenidate | [no description available] | medium | 1 | 0 | methyl phenyl(piperidin-2-yl)acetate | adrenergic agent |
cinacalcet | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
lubiprostone | [no description available] | medium | 1 | 0 | | |
telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
paromomycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
anidulafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 3 | 0 | corticosteroid hormone | |
varenicline | [no description available] | medium | 1 | 0 | | |
fiduxosin | [no description available] | medium | 1 | 0 | | |
erlotinib | [no description available] | medium | 1 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor |
dronedarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
ramelteon | [no description available] | medium | 1 | 0 | indanes | |
lapatinib | [no description available] | medium | 1 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
darunavir | [no description available] | medium | 1 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
deferasirox | [no description available] | medium | 1 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
tbc-11251 | [no description available] | medium | 1 | 0 | benzodioxoles | |
tolvaptan | [no description available] | medium | 3 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
sorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
regadenoson | [no description available] | medium | 1 | 0 | purine nucleoside | |
lacosamide | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
vincaleukoblastine | [no description available] | medium | 1 | 0 | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite |
benzarone | [no description available] | medium | 1 | 0 | 1-benzofurans | |
bortezomib | [no description available] | medium | 1 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
meropenem | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
pancuronium | [no description available] | medium | 2 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
abacavir | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
miglitol | [no description available] | medium | 1 | 0 | piperidines | |
metyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
linezolid | [no description available] | medium | 1 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
clindamycin phosphate | [no description available] | medium | 1 | 0 | | |
eplerenone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
tolterodine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
tretinoin | [no description available] | medium | 7 | 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 |
tacrolimus | [no description available] | medium | 3 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
rosuvastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
octreotide | [no description available] | medium | 2 | 0 | | |
eptifibatide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
decitabine | [no description available] | medium | 1 | 0 | 2'-deoxyribonucleoside | |
dactinomycin | [no description available] | medium | 12 | 0 | actinomycin | mutagen |
tenofovir | [no description available] | medium | 1 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
posaconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
micafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
riboflavin | [no description available] | medium | 1 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
sodium bicarbonate | [no description available] | medium | 1 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
arsenic trioxide | [no description available] | medium | 1 | 0 | arsenic oxide | antineoplastic agent; insecticide |
sr 90107 | [no description available] | medium | 1 | 0 | | |
meglumine iodipamide | [no description available] | medium | 1 | 0 | organoammonium salt | radioopaque medium |
thyrotropin-releasing hormone | [no description available] | medium | 1 | 0 | peptide hormone; tripeptide | human metabolite |
s 1033 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
etomidate | [no description available] | medium | 2 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
pyrantel | [no description available] | medium | 1 | 0 | 1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes | antinematodal drug |
thiothixene | [no description available] | medium | 1 | 0 | N-methylpiperazine | anticoronaviral agent |
eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant; sedative |
benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
succimer | [no description available] | medium | 1 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
tamoxifen | [no description available] | medium | 25 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
cancidas | [no description available] | medium | 1 | 0 | | |
ranitidine | [no description available] | medium | 6 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
aplaviroc | [no description available] | medium | 1 | 0 | | |
hmr 3647 | [no description available] | medium | 1 | 0 | | |
maraviroc | [no description available] | medium | 1 | 0 | tropane alkaloid | |
toremifene | [no description available] | medium | 1 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
nelarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
dermatan sulfate | [no description available] | medium | 1 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
dolasetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
orlistat | [no description available] | medium | 1 | 0 | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
fospropofol | [no description available] | medium | 1 | 0 | alkylbenzene | |
rasagiline | [no description available] | medium | 1 | 0 | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent |
dasatinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
tolcapone | [no description available] | medium | 1 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
calcitriol | [no description available] | medium | 4 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
vitamin d 2 | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
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 |
oxymetholone | [no description available] | medium | 1 | 0 | | |
eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
montelukast | [no description available] | medium | 1 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
mivacurium | [no description available] | medium | 1 | 0 | isoquinolines | |
hemabate | [no description available] | medium | 4 | 0 | | |
hemabate | [no description available] | medium | 4 | 2 | | |
mycophenolate mofetil | [no description available] | medium | 1 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
entacapone | [no description available] | medium | 1 | 0 | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
paricalcitol | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
epoprostenol | [no description available] | medium | 1 | 0 | prostaglandins I | mouse metabolite |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
pitavastatin | [no description available] | medium | 1 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
ethamolin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
alatrofloxacin mesylate | [no description available] | medium | 1 | 0 | | |
acitretin | [no description available] | medium | 1 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
estropipate | [no description available] | medium | 1 | 0 | piperazinium salt; steroid sulfate | |
hydromorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
levetiracetam | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
nabilone | [no description available] | medium | 1 | 0 | | |
oxycodone | [no description available] | medium | 5 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
oxymorphone | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
vitamin k 1 | [no description available] | medium | 2 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
sirolimus | [no description available] | medium | 3 | 0 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
topiramate | [no description available] | medium | 1 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
trospium chloride | [no description available] | medium | 1 | 0 | | |
benzphetamine | [no description available] | medium | 1 | 0 | amphetamines; tertiary amine | adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent |
dexmedetomidine | [no description available] | medium | 2 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
dexmedetomidine | [no description available] | medium | 2 | 1 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
goserelin | [no description available] | medium | 2 | 0 | organic molecular entity | |
nalbuphine | [no description available] | medium | 5 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
nalbuphine | [no description available] | medium | 5 | 3 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
nateglinide | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
silodosin | [no description available] | medium | 1 | 0 | indolecarboxamide | |
fluvoxamine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
su 11248 | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
levorphanol | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
naltrexone | [no description available] | medium | 25 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
naltrexone | [no description available] | medium | 25 | 1 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
dextromethorphan | [no description available] | medium | 1 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
butorphanol | [no description available] | medium | 5 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
benazepril | [no description available] | medium | 1 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
verteporfin | [no description available] | medium | 1 | 0 | | |
indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
zimeldine | [no description available] | medium | 2 | 0 | styrenes | |
trientine hydrochloride | [no description available] | medium | 1 | 0 | | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
bleomycin | [no description available] | medium | 1 | 0 | bleomycin | antineoplastic agent; metabolite |
enalaprilat anhydrous | [no description available] | medium | 2 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
ximelagatran | [no description available] | medium | 1 | 0 | amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor |
cefepime | [no description available] | medium | 1 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
pafuramidine | [no description available] | medium | 1 | 0 | | |
trandolapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
pregabalin | [no description available] | medium | 2 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
alvimopan anhydrous | [no description available] | medium | 1 | 0 | peptide | |
aliskiren | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cefotaxime | [no description available] | medium | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
aztreonam | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
cefpodoxime | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
palonosetron | [no description available] | medium | 1 | 0 | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
rifaximin | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative | antimicrobial agent; gastrointestinal drug; orphan drug |
everolimus | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
ixabepilone | [no description available] | medium | 1 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
dantrolene | [no description available] | medium | 1 | 0 | | |
cefdinir | [no description available] | medium | 1 | 0 | cephalosporin; ketoxime | antibacterial drug |
etonogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin |
temsirolimus | [no description available] | medium | 1 | 0 | macrolide lactam | |
dutasteride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aza-steroid; delta-lactam | antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
lu 208075 | [no description available] | medium | 1 | 0 | diarylmethane | |
bibx 1382bs | [no description available] | medium | 1 | 0 | substituted aniline | |
fesoterodine | [no description available] | medium | 1 | 0 | diarylmethane | |
gemifloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
dexlansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles; sulfoxide | |
fosinopril | [no description available] | medium | 1 | 0 | | |
armodafinil | [no description available] | medium | 1 | 0 | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
sincalide | [no description available] | medium | 40 | 0 | oligopeptide | |
tapentadol | [no description available] | medium | 1 | 0 | alkylbenzene | |
pentagastrin | [no description available] | medium | 2 | 0 | organic molecular entity | |
cefditoren | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
pazopanib | [no description available] | medium | 1 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
prasugrel hydrochloride | [no description available] | medium | 1 | 0 | | |
baci-im | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
bms 477118 | [no description available] | medium | 1 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
nystatin a1 | [no description available] | medium | 6 | 0 | nystatins | |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
scopolamine hydrobromide | [no description available] | medium | 12 | 0 | | |
bivalirudin | [no description available] | medium | 1 | 0 | polypeptide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
enfuvirtide | [no description available] | medium | 1 | 0 | | |
ganirelix | [no description available] | medium | 1 | 0 | polypeptide | |
teriparatide | [no description available] | medium | 1 | 0 | polypeptide | |
salmon calcitonin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone; polypeptide | bone density conservation agent; metabolite |
ly-146032 | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide | [no description available] | medium | 1 | 0 | polypeptide | |
exenatide | [no description available] | medium | 1 | 0 | | |
mesna | [no description available] | medium | 1 | 0 | organosulfonic acid | |
sodium lactate | [no description available] | medium | 1 | 0 | lactate salt; organic sodium salt | food acidity regulator; food preservative |
sodium iothalamate | [no description available] | medium | 1 | 0 | | |
cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
raltegravir | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase 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 |
warfarin | [no description available] | medium | 4 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
tigecycline | [no description available] | medium | 1 | 0 | | |
entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
folic acid | [no description available] | medium | 2 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
valacyclovir | [no description available] | medium | 1 | 0 | L-valyl ester | antiviral drug |
sildenafil | [no description available] | medium | 1 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
olanzapine | [no description available] | medium | 4 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
citrovorum factor | [no description available] | medium | 1 | 0 | tetrahydrofolic acid | |
leucovorin | [no description available] | medium | 1 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
rifapentine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-iminopiperazine; rifamycins | antitubercular agent; leprostatic drug |
bl 4162a | [no description available] | medium | 1 | 0 | imidazoquinazoline | anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor |
tegaserod | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
valganciclovir | [no description available] | medium | 1 | 0 | L-valyl ester; purines | antiviral drug; prodrug |
aprepitant | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
fosaprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles | antiemetic; neurokinin-1 receptor antagonist; prodrug |
rifabutin | [no description available] | medium | 1 | 0 | | |
levomefolate calcium | [no description available] | medium | 1 | 0 | organic calcium salt | antidepressant |
isotocin | [no description available] | medium | 161 | 0 | | |
isotocin | [no description available] | medium | 161 | 1 | | |
opc 51803 | [no description available] | medium | 2 | 0 | | |
way-151932 | [no description available] | medium | 1 | 0 | | |
somatostatin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone | |
plecanatide | [no description available] | medium | 1 | 0 | | |
selenium | [no description available] | medium | 11 | 0 | chalcogen; nonmetal atom | micronutrient |
magnesium sulfate | [no description available] | medium | 52 | 5 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
misoprostol | [no description available] | medium | 367 | 177 | | |
pituitrin | [no description available] | medium | 3,327 | 32 | | |
corticosterone | [no description available] | medium | 222 | 2 | 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 |
azoxymethane | [no description available] | medium | 1 | 0 | | |
celastrol | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
ergonovine | [no description available] | medium | 238 | 53 | ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound | diagnostic agent; fungal metabolite; oxytocic; toxin |
carboprost | [no description available] | medium | 28 | 9 | hydroxy monocarboxylic acid | abortifacient; oxytocic |
inositol 1,4,5-trisphosphate | [no description available] | medium | 23 | 0 | myo-inositol trisphosphate | mouse metabolite |
cocaine | [no description available] | medium | 63 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
cocaine | [no description available] | medium | 63 | 1 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
glutamic acid | [no description available] | medium | 82 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
hydrogen sulfide | [no description available] | medium | 5 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
acetylglucosamine | [no description available] | medium | 1 | 0 | N-acetyl-D-glucosamine | epitope |
glucosamine | [no description available] | medium | 3 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
glycofurol | [no description available] | medium | 1 | 0 | poly(ethylene glycol) | |
dehydroepiandrosterone | [no description available] | medium | 29 | 4 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
diprenorphine | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
dynorphins | [no description available] | medium | 53 | 1 | | |
u-50488 | [no description available] | medium | 15 | 0 | dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine | analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist |
dinoprostone | [no description available] | medium | 540 | 151 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
gadolinium | [no description available] | medium | 7 | 1 | f-block element atom; lanthanoid atom | |
sucrose | [no description available] | medium | 28 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
glucagon-like peptide 1 | [no description available] | medium | 23 | 0 | | |
glucagon-like peptide 2 | [no description available] | medium | 3 | 0 | | |
glucagon | [no description available] | medium | 97 | 0 | peptide hormone | |
neurotensin | [no description available] | medium | 36 | 2 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
oxyntomodulin | [no description available] | medium | 9 | 0 | | |
lactic acid | [no description available] | medium | 15 | 1 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
neuropeptide y | [no description available] | medium | 53 | 5 | | |
bisphenol a | [no description available] | medium | 5 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
bis(4-hydroxyphenyl)sulfone | [no description available] | medium | 1 | 0 | bisphenol; sulfone | endocrine disruptor; metabolite |
gamma-aminobutyric acid | [no description available] | medium | 123 | 1 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
kiss1 protein, human | [no description available] | medium | 16 | 0 | | |
propionic acid | [no description available] | medium | 3 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
methane | [no description available] | medium | 4 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
mesotocin | [no description available] | medium | 175 | 0 | | |
cysteine | [no description available] | medium | 65 | 0 | cysteinium | fundamental metabolite |
sulfites | [no description available] | medium | 2 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
lithium | [no description available] | medium | 27 | 0 | alkali metal atom | |
atrazine | [no description available] | medium | 2 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
glycine | [no description available] | medium | 49 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
leptin | [no description available] | medium | 53 | 5 | | |
carnosine | [no description available] | medium | 5 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
phthalide | [no description available] | medium | 1 | 0 | 2-benzofurans; gamma-lactone | |
benzofurans | [no description available] | medium | 7 | 0 | | |
pyrethrins | [no description available] | medium | 1 | 0 | | |
fenvalerate | [no description available] | medium | 1 | 0 | aromatic ether; carboxylic ester; monochlorobenzenes | pyrethroid ester acaricide; pyrethroid ester insecticide |
cypermethrin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
phenylephrine | [no description available] | medium | 74 | 6 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
anisomycin | [no description available] | medium | 2 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
dinoprost | [no description available] | medium | 696 | 32 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
chlorine | [no description available] | medium | 97 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
angiotensin ii | [no description available] | medium | 242 | 2 | amino acid zwitterion; angiotensin II | human metabolite |
vasotocin | [no description available] | medium | 680 | 15 | | |
yohimbine | [no description available] | medium | 6 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
felypressin | [no description available] | medium | 12 | 0 | heterodetic cyclic peptide | vasoconstrictor agent; vasopressin receptor agonist |
phloroglucinol | [no description available] | medium | 1 | 0 | benzenetriol; phenolic donor | algal metabolite |
pentylenetetrazole | [no description available] | medium | 16 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
tryptophan | [no description available] | medium | 19 | 2 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
iodoacetic acid | [no description available] | medium | 2 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
transforming growth factor beta | [no description available] | medium | 11 | 0 | | |
toluene | [no description available] | medium | 8 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
melatonin | [no description available] | medium | 81 | 5 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
cortisone | [no description available] | medium | 31 | 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 |
granisetron | [no description available] | medium | 2 | 1 | aromatic amide; indazoles | |
gyy 4137 | [no description available] | medium | 2 | 0 | organic molecular entity | |
phosphorus | [no description available] | medium | 8 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
gold | [no description available] | medium | 13 | 0 | copper group element atom; elemental gold | |
osteoprotegerin | [no description available] | medium | 4 | 0 | long-chain fatty acid | |
cupric sulfide | [no description available] | medium | 1 | 0 | | |
angiotensinogen | [no description available] | medium | 3 | 0 | | |
promestriene | [no description available] | medium | 1 | 1 | steroid | |
heroin | [no description available] | medium | 13 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
leucine | [no description available] | medium | 58 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
diethylhexyl phthalate | [no description available] | medium | 2 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
phthalic acid | [no description available] | medium | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
proline | [no description available] | medium | 43 | 1 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
bromide | [no description available] | medium | 5 | 1 | halide anion; monoatomic bromine | |
androstenedione | [no description available] | medium | 21 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
tetrodotoxin | [no description available] | medium | 41 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
substance p | [no description available] | medium | 91 | 1 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
beta-endorphin | [no description available] | medium | 92 | 5 | | |
hydroxyindoleacetic acid | [no description available] | medium | 9 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
aglepristone | [no description available] | medium | 6 | 2 | oxo steroid | |
nadp | [no description available] | medium | 8 | 0 | | |
pregnenolone | [no description available] | medium | 11 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
drotaverin | [no description available] | medium | 1 | 1 | isoquinolines | |
glyceryl 2-arachidonate | [no description available] | medium | 1 | 0 | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
formaldehyde | [no description available] | medium | 9 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
1,6-bis(cyclohexyloximinocarbonyl)hexane | [no description available] | medium | 2 | 0 | carbamate ester; organonitrogen compound | |
4-aminospiroperidol | [no description available] | medium | 1 | 1 | | |
peoniflorin | [no description available] | medium | 2 | 0 | | |
ferulic acid | [no description available] | medium | 2 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
arachidonic acid | [no description available] | medium | 47 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
1,5-anhydrofructose | [no description available] | medium | 1 | 0 | 3-pyrones; anhydrohexose; cyclic ether; cyclic ketone; organic heterocyclic compound; triol | |
n-methyl-3,4-methylenedioxyamphetamine | [no description available] | medium | 30 | 11 | amphetamines; benzodioxoles | neurotoxin |
9-phenanthrol | [no description available] | medium | 1 | 0 | phenanthrol | TRPM4 channel inhibitor |
lactose | [no description available] | medium | 26 | 0 | lactose | |
1-methyl-3-isobutylxanthine | [no description available] | medium | 14 | 0 | 3-isobutyl-1-methylxanthine | |
ethamsylate | [no description available] | medium | 2 | 2 | organosulfur compound; sulfonic acid derivative | |
apigenin | [no description available] | medium | 1 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
gastrin-releasing peptide | [no description available] | medium | 6 | 0 | | |
peptide phi | [no description available] | medium | 4 | 0 | | |
vasoactive intestinal peptide | [no description available] | medium | 68 | 1 | | |
histamine | [no description available] | medium | 136 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
azides | [no description available] | medium | 6 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
muscimol | [no description available] | medium | 15 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
lysine | [no description available] | medium | 104 | 1 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
fibrinogen | [no description available] | medium | 25 | 3 | iditol | fungal metabolite |
vitamin b 12 | [no description available] | medium | 5 | 1 | | |
l 368899 | [no description available] | medium | 35 | 0 | | |
xylazine | [no description available] | medium | 8 | 1 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
detomidine | [no description available] | medium | 6 | 0 | | |
sodium glutamate | [no description available] | medium | 9 | 0 | monosodium glutamate | flavouring agent |
15-keto-13,14-dihydroprostaglandin f2alpha | [no description available] | medium | 158 | 9 | ketone; prostaglandins Falpha | metabolite |
shu 9119 | [no description available] | medium | 5 | 0 | | |
triazoles | [no description available] | medium | 18 | 0 | 1,2,3-triazole | |
tetracarboxyphenylporphine | [no description available] | medium | 1 | 0 | | |
piperidines | [no description available] | medium | 54 | 0 | | |
cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
vasotocin, desgly(nh2)(9)d(ch2)5-tyr(me)(2)-thr(4)-orn(8)- | [no description available] | medium | 32 | 0 | | |
cholecystokinin | [no description available] | medium | 118 | 2 | | |
lecirelin | [no description available] | medium | 1 | 1 | | |
beta-lactams | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
liraglutide | [no description available] | medium | 2 | 0 | lipopeptide; polypeptide | glucagon-like peptide-1 receptor agonist; neuroprotective agent |
3-nitropropionic acid | [no description available] | medium | 1 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
wp1066 | [no description available] | medium | 1 | 0 | | |
5-methylcytosine | [no description available] | medium | 2 | 0 | methylcytosine; pyrimidines | human metabolite |
5-hydroxymethylcytosine | [no description available] | medium | 2 | 0 | aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone | human metabolite; mouse metabolite |
thioctic acid | [no description available] | medium | 3 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
mocetinostat | [no description available] | medium | 11 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
2-methylpentane | [no description available] | medium | 1 | 0 | alkane | |
n-hexane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
carbachol | [no description available] | medium | 85 | 1 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
linoleic acid | [no description available] | medium | 8 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
stigmasterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol | plant metabolite |
sulprostone | [no description available] | medium | 23 | 4 | prostanoid | |
tricalcium phosphate | [no description available] | medium | 2 | 0 | calcium phosphate | |
durapatite | [no description available] | medium | 1 | 0 | | |
thapsigargin | [no description available] | medium | 21 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
estradiol 3-benzoate | [no description available] | medium | 25 | 0 | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
paeonol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
anandamide | [no description available] | medium | 5 | 0 | endocannabinoid; N-acylethanolamine 20:4 | human blood serum metabolite; neurotransmitter; vasodilator agent |
acetonitrile | [no description available] | medium | 2 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
potassium chloride | [no description available] | medium | 96 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
bay-k-8644 | [no description available] | medium | 16 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
methylazoxymethanol acetate | [no description available] | medium | 1 | 0 | azoxy compound | |
conopressin g | [no description available] | medium | 18 | 0 | | |
formestane | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
losartan potassium | [no description available] | medium | 6 | 0 | | |
fenclonine | [no description available] | medium | 8 | 0 | phenylalanine derivative | |
sildenafil citrate | [no description available] | medium | 9 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
barusiban | [no description available] | medium | 5 | 0 | | |
sulpiride | [no description available] | medium | 13 | 1 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
glanatec | [no description available] | medium | 1 | 0 | | |
sq-23377 | [no description available] | medium | 14 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
h 89 | [no description available] | medium | 1 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
cotinine | [no description available] | medium | 3 | 1 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
malondialdehyde | [no description available] | medium | 21 | 0 | dialdehyde | biomarker |
niacinamide | [no description available] | medium | 2 | 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 |
nicotinamide-beta-riboside | [no description available] | medium | 1 | 0 | N-glycosylnicotinamide; pyridine nucleoside | geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
brexanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative |
pregnanolone | [no description available] | medium | 15 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
betadex | [no description available] | medium | 10 | 0 | cyclodextrin | |
n-methylaspartate | [no description available] | medium | 28 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
dan 2163 | [no description available] | medium | 2 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
quetiapine fumarate | [no description available] | medium | 2 | 0 | fumarate salt | |
vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(o- methyl-l-tyrosine)-8-l-arginine- | [no description available] | medium | 39 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 52 | 1 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
picrotoxin | [no description available] | medium | 10 | 0 | | |
am 251 | [no description available] | medium | 5 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
ah 23848 | [no description available] | medium | 1 | 0 | (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid | |
chlorobutanol | [no description available] | medium | 21 | 1 | tertiary alcohol | |
hydrogen carbonate | [no description available] | medium | 13 | 3 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
benzene | [no description available] | medium | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
resveratrol | [no description available] | medium | 5 | 1 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
dk-ah 268 | [no description available] | medium | 1 | 0 | | |
2,4,3',5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | | |
sevoflurane | [no description available] | medium | 11 | 2 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
syntometrine | [no description available] | medium | 66 | 24 | | |
buprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 5 | 0 | | |
1,3,5,(10),16-estratetraen-3-ol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | |
4,16-androstadien-3-one | [no description available] | medium | 1 | 0 | | |
metallothionein | [no description available] | medium | 4 | 0 | | |
obe001 | [no description available] | medium | 3 | 1 | | |
dimethylglycine | [no description available] | medium | 1 | 1 | amino acid zwitterion; N-methyl-amino acid; N-methylglycines | Daphnia magna metabolite; human metabolite; mouse metabolite |
sarcosine | [no description available] | medium | 6 | 1 | N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines | Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite |
pyrroles | [no description available] | medium | 15 | 0 | pyrrole; secondary amine | |
fpl 64176 | [no description available] | medium | 1 | 0 | carboxylic ester; pyrroles | calcium channel agonist |
flurogestone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
phenyl acetate | [no description available] | medium | 26 | 2 | benzenes; phenyl acetates | |
uric acid | [no description available] | medium | 5 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
trehalose | [no description available] | medium | 2 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dibutyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent |
diethylstilbestrol | [no description available] | medium | 65 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
homatropine methylbromide | [no description available] | medium | 1 | 0 | | |
allantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
macimorelin | [no description available] | medium | 1 | 0 | | |
vabicaserin | [no description available] | medium | 1 | 0 | | |
cloprostenol | [no description available] | medium | 40 | 3 | prostanoid | |
kynurenine | [no description available] | medium | 1 | 0 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
wortmannin | [no description available] | medium | 5 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
oxytocin, tri-gly- | [no description available] | medium | 15 | 0 | | |
cyclic gmp | [no description available] | medium | 65 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
saccharin | [no description available] | medium | 9 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
stearic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
palmitic acid | [no description available] | medium | 4 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
n-oleoylethanolamine | [no description available] | medium | 8 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
1,10-phenanthroline | [no description available] | medium | 2 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
denatonium benzoate | [no description available] | medium | 1 | 0 | | |
1,7-phenanthroline | [no description available] | medium | 4 | 0 | phenanthroline | |
linalool | [no description available] | medium | 1 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 13 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
neurokinin b | [no description available] | medium | 3 | 0 | polypeptide | |
peptide yy | [no description available] | medium | 4 | 0 | | |
peptide yy | [no description available] | medium | 1 | 0 | | |
3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile | [no description available] | medium | 1 | 1 | | |
glucagon-like peptide 1 (7-36)amide | [no description available] | medium | 5 | 0 | | |
benzoic acid | [no description available] | medium | 2 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
urea | [no description available] | medium | 51 | 4 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
phenylalanine | [no description available] | medium | 39 | 1 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
thiophenes | [no description available] | medium | 3 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
pyrimidinones | [no description available] | medium | 5 | 0 | | |
tocinoic acid | [no description available] | medium | 15 | 0 | | |
diphenylguanidine | [no description available] | medium | 1 | 0 | guanidines | allergen |
isoprene | [no description available] | medium | 2 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
glycolic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
capsaicin | [no description available] | medium | 7 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
capsazepine | [no description available] | medium | 2 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
sodium dodecyl sulfate | [no description available] | medium | 4 | 0 | organic sodium salt | detergent; protein denaturant |
15-ketoprostaglandin f2alpha | [no description available] | medium | 4 | 0 | prostaglandins Falpha | |
4',5,7-trihydroxy-3,6-dimethoxyflavone | [no description available] | medium | 1 | 0 | | |
calixarenes | [no description available] | medium | 1 | 0 | | |
calix(4)arene | [no description available] | medium | 1 | 0 | | |
calpain | [no description available] | medium | 3 | 0 | | |
lvv-hemorphin-7 | [no description available] | medium | 2 | 0 | | |
angiotensin ii, des-asp(1)-des-arg(2)-ile(5)- | [no description available] | medium | 6 | 0 | organic molecular entity | |
calcium gluconate | [no description available] | medium | 4 | 0 | calcium salt | nutraceutical |
endrin | [no description available] | medium | 1 | 0 | | |
cp 154526 | [no description available] | medium | 2 | 0 | | |
glucuronic acid | [no description available] | medium | 1 | 0 | D-glucuronic acid | algal metabolite |
phosphatidylcholines | [no description available] | medium | 18 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
ag-490 | [no description available] | medium | 1 | 0 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor |
casein kinase ii | [no description available] | medium | 1 | 0 | | |
glycylsarcosine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | |
valine | [no description available] | medium | 18 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
dydrogesterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin |
transferrin | [no description available] | medium | 4 | 0 | | |
5-methoxytryptamine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; tryptamines | 5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist |
gastrins | [no description available] | medium | 41 | 0 | | |
dieldrin | [no description available] | medium | 3 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
aldrin | [no description available] | medium | 2 | 0 | | |
ddt | [no description available] | medium | 7 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
dichlorodiphenyl dichloroethylene | [no description available] | medium | 6 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
colforsin | [no description available] | medium | 54 | 0 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
epidermal growth factor | [no description available] | medium | 22 | 0 | | |
enkephalin, leucine | [no description available] | medium | 101 | 1 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
trenbolone acetate | [no description available] | medium | 5 | 1 | steroid ester | |
quercetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
u 73122 | [no description available] | medium | 9 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) 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 |
am 630 | [no description available] | medium | 2 | 0 | N-acylindole | |
4-fluoroamphetamine | [no description available] | medium | 1 | 1 | | |
pf-670462 | [no description available] | medium | 1 | 0 | hydrochloride | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
l 366509 | [no description available] | medium | 5 | 0 | | |
interleukin-1beta (163-171) | [no description available] | medium | 1 | 0 | | |
sb 203580 | [no description available] | medium | 1 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
chelerythrine | [no description available] | medium | 3 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
m 8218 | [no description available] | medium | 1 | 0 | | |
quinuclidines | [no description available] | medium | 1 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
dehydroepiandrosterone sulfate | [no description available] | medium | 13 | 2 | 17-oxo steroid; steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite |
atrial natriuretic factor | [no description available] | medium | 79 | 0 | polypeptide | |
natriuretic peptide, brain | [no description available] | medium | 8 | 0 | polypeptide | |
s20098 | [no description available] | medium | 1 | 0 | acetamides | |
chlorpyrifos | [no description available] | medium | 1 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
2,5-dioxopiperazine | [no description available] | medium | 1 | 0 | 2,5-diketopiperazines; cyclic peptide | |
cafedrine, theodrenaline drug combination | [no description available] | medium | 1 | 0 | | |
sb 3ct compound | [no description available] | medium | 1 | 0 | aromatic ether | |
17-alpha-hydroxyprogesterone | [no description available] | medium | 6 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
dihydrotestosterone | [no description available] | medium | 16 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
bilirubin | [no description available] | medium | 66 | 7 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
bicuculline | [no description available] | medium | 27 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
potassium phosphate | [no description available] | medium | 1 | 0 | inorganic phosphate salt; inorganic potassium salt | |
2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
carbonates | [no description available] | medium | 2 | 0 | carbon oxoanion | |
carbamates | [no description available] | medium | 8 | 0 | amino-acid anion | |
ethinyl estradiol | [no description available] | medium | 10 | 2 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
preproenkephalin | [no description available] | medium | 15 | 0 | | |
zinc sulfate | [no description available] | medium | 2 | 0 | metal sulfate; zinc molecular entity | fertilizer |
ac 45594 | [no description available] | medium | 1 | 0 | aromatic ether | |
androstane-3,17-diol | [no description available] | medium | 5 | 1 | 17-hydroxy steroid; 3-hydroxy steroid; androstanoid | |
11-ketotestosterone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; human metabolite; marine xenobiotic metabolite |
aspartic acid | [no description available] | medium | 17 | 1 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
nitrous oxide | [no description available] | medium | 9 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
levobupivacaine | [no description available] | medium | 4 | 3 | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
onapristone | [no description available] | medium | 7 | 0 | | |
u 0126 | [no description available] | medium | 3 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
urb 597 | [no description available] | medium | 3 | 0 | biphenyls | |
nitrates | [no description available] | medium | 14 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
11-cis-retinal | [no description available] | medium | 3 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
threonine | [no description available] | medium | 12 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
homocysteine | [no description available] | medium | 4 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
iodine | [no description available] | medium | 14 | 0 | diatomic iodine | nutrient |
oxytocin, asp(5)- | [no description available] | medium | 15 | 0 | | |
octane | [no description available] | medium | 1 | 0 | alkane | xenobiotic |
dapi | [no description available] | medium | 1 | 0 | indoles | fluorochrome |
hydrogen | [no description available] | medium | 12 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
lithium chloride | [no description available] | medium | 29 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
bucladesine | [no description available] | medium | 26 | 0 | 3',5'-cyclic purine nucleotide | |
carbostyril | [no description available] | medium | 11 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
nad | [no description available] | medium | 5 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
s 1743 | [no description available] | medium | 1 | 0 | magnesium salt | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
iberiotoxin | [no description available] | medium | 9 | 0 | | |
nicotine | [no description available] | medium | 43 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
raclopride | [no description available] | medium | 4 | 1 | salicylamides | |
endothelin-1 | [no description available] | medium | 24 | 1 | | |
kainic acid | [no description available] | medium | 7 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 16 | 0 | quinoxaline derivative | |
alanine | [no description available] | medium | 20 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate | [no description available] | medium | 1 | 0 | alpha-amino acid | |
isoxazoles | [no description available] | medium | 1 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
ropivacaine | [no description available] | medium | 11 | 5 | piperidinecarboxamide; ropivacaine | local anaesthetic |
4-aminopyridine | [no description available] | medium | 9 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
pinacidil | [no description available] | medium | 11 | 0 | pyridines | |
tetraethylammonium | [no description available] | medium | 9 | 0 | quaternary ammonium ion | |
ns 1619 | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; benzimidazoles; phenols | potassium channel opener |
stilbenes | [no description available] | medium | 6 | 1 | stilbene | |
oxytocin, gly-lys-arg- | [no description available] | medium | 21 | 0 | | |
urotensin i | [no description available] | medium | 4 | 0 | | |
nile red | [no description available] | medium | 1 | 0 | aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound | fluorochrome; histological dye |
astressin-2b | [no description available] | medium | 2 | 0 | | |
hyaluronoglucosaminidase | [no description available] | medium | 16 | 0 | | |
ergoline | [no description available] | medium | 8 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
2,3-bis(4-hydroxyphenyl)-propionitrile | [no description available] | medium | 2 | 0 | nitrile; phenols | estrogen receptor agonist |
carbapenems | [no description available] | medium | 3 | 0 | | |
acetic acid | [no description available] | medium | 3 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
cardiovascular agents | [no description available] | medium | 19 | 0 | | |
1-butanol | [no description available] | medium | 5 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
rutin | [no description available] | medium | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
denaverine | [no description available] | medium | 2 | 1 | diarylmethane | |
bromochloroacetic acid | [no description available] | medium | 7 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
glucose, (beta-d)-isomer | [no description available] | medium | 2 | 0 | D-glucopyranose | epitope; mouse metabolite |
glycyrrhizic acid | [no description available] | medium | 1 | 0 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
carbon monoxide | [no description available] | medium | 10 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
vasotocin, (beta-mercapto-beta,beta-cyclopentamethylenepropionic acid)-o-methyl-tyr(2)-thr(4)-orn(8)-tyr(9)-nh2 | [no description available] | medium | 19 | 0 | | |
cediranib | [no description available] | medium | 1 | 0 | aromatic ether | |
quinazolines | [no description available] | medium | 5 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
exendin (9-39) | [no description available] | medium | 4 | 0 | | |
lithium carbonate | [no description available] | medium | 1 | 1 | carbonate salt; lithium salt | antimanic drug |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 5 | 0 | | |
tetradecanoylphorbol acetate | [no description available] | medium | 40 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
n-acetylaspartic acid | [no description available] | medium | 1 | 1 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
anantin | [no description available] | medium | 2 | 0 | | |
abt-450 | [no description available] | medium | 1 | 1 | | |
methyl palmitate | [no description available] | medium | 1 | 0 | fatty acid methyl ester | metabolite |
2-(n-morpholino)ethanesulfonic acid | [no description available] | medium | 1 | 0 | MES; organosulfonic acid; zwitterion | |
glycolipids | [no description available] | medium | 8 | 0 | | |
bradykinin | [no description available] | medium | 156 | 1 | oligopeptide | human blood serum metabolite; vasodilator agent |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 34 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
serine | [no description available] | medium | 13 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
valethamate | [no description available] | medium | 1 | 0 | alkylbenzene | |
cadmium | [no description available] | medium | 5 | 0 | cadmium molecular entity; zinc group element atom | |
interleukin-8 | [no description available] | medium | 3 | 0 | | |
galanin-like peptide | [no description available] | medium | 3 | 0 | | |
galantide | [no description available] | medium | 2 | 0 | | |
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide | [no description available] | medium | 1 | 0 | piperazines; pyridines | |
pyrazines | [no description available] | medium | 8 | 0 | diazine; pyrazines | Daphnia magna metabolite |
c.i. 42510 | [no description available] | medium | 1 | 0 | | |
coomassie brilliant blue | [no description available] | medium | 1 | 0 | | |
D-fructopyranose | [no description available] | medium | 8 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
citric acid, anhydrous | [no description available] | medium | 4 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
quinpirole | [no description available] | medium | 4 | 0 | pyrazoloquinoline | dopamine agonist |
hydroxyisohexyl 3-cyclohexene carboxaldehyde | [no description available] | medium | 1 | 1 | | |
msh, 4-nle-7-phe-alpha- | [no description available] | medium | 1 | 0 | polypeptide | dermatologic drug |
melanotan-ii | [no description available] | medium | 4 | 0 | organic molecular entity | |
maleimide | [no description available] | medium | 1 | 0 | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
2-aminoethoxydiphenyl borate | [no description available] | medium | 2 | 0 | organoboron compound; primary amino compound | calcium channel blocker; IP3 receptor antagonist; potassium channel opener |
vasotocin, 1-(beta-mercapto-(beta, beta-cyclopentamethylene)propionic acid)-tyr(om3)(2)-orn(8)- | [no description available] | medium | 43 | 0 | | |
zeranol | [no description available] | medium | 1 | 0 | macrolide | |
tyrosine | [no description available] | medium | 71 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
aldosterone | [no description available] | medium | 50 | 2 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
methysergide | [no description available] | medium | 13 | 0 | ergoline alkaloid | |
isoflurane | [no description available] | medium | 5 | 0 | organofluorine compound | inhalation anaesthetic |
methanol | [no description available] | medium | 3 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole | [no description available] | medium | 4 | 0 | ether; imidazoles; monomethoxybenzene | TRP channel blocker |
16-hydroxyprogesterone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
ah 6809 | [no description available] | medium | 1 | 0 | xanthones | |
dimethyl sulfoxide | [no description available] | medium | 24 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
gsk221149a | [no description available] | medium | 3 | 0 | dipeptide | |
oleic acid | [no description available] | medium | 3 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
dihydro-beta-erythroidine | [no description available] | medium | 1 | 0 | delta-lactone; organic heterotetracyclic compound; tertiary amino compound | nicotinic antagonist |
thromboplastin | [no description available] | medium | 5 | 0 | | |
clozapine n-oxide | [no description available] | medium | 1 | 0 | dibenzodiazepine | |
oxytocin, phe(2)-orn(8)- | [no description available] | medium | 19 | 0 | | |
5-hydroxydecanoate | [no description available] | medium | 2 | 0 | medium-chain fatty acid | |
enkephalin, methionine | [no description available] | medium | 42 | 0 | | |
FR900359 | [no description available] | medium | 1 | 0 | cyclodepsipeptide | |
senktide | [no description available] | medium | 3 | 0 | | |
vinclozolin | [no description available] | medium | 1 | 0 | dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone | |
oxazoles | [no description available] | medium | 2 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
glycogen | [no description available] | medium | 14 | 0 | | |
alloxan | [no description available] | medium | 3 | 0 | pyrimidone | hyperglycemic agent; metabolite |
muscarine | [no description available] | medium | 3 | 0 | monosaccharide | |
thiazoles | [no description available] | medium | 13 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
salsolinol | [no description available] | medium | 2 | 1 | 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol | human urinary metabolite |
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline | [no description available] | medium | 10 | 0 | naphthalenes; sulfonic acid derivative | |
quinoxalines | [no description available] | medium | 22 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 10 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
homovanillic acid | [no description available] | medium | 6 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
titanium | [no description available] | medium | 1 | 0 | titanium group element atom | |
vanoxerine | [no description available] | medium | 1 | 0 | ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound | dopamine uptake inhibitor |
trichostatin a | [no description available] | medium | 3 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
biotin | [no description available] | medium | 11 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
silver | [no description available] | medium | 4 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
dizocilpine maleate | [no description available] | medium | 11 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
agar | [no description available] | medium | 3 | 0 | | |
resazurin | [no description available] | medium | 1 | 0 | phenoxazine | |
xanthenes | [no description available] | medium | 2 | 0 | xanthene | |
methiothepin | [no description available] | medium | 1 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
trinitrobenzenesulfonic acid | [no description available] | medium | 4 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
omega-n-methylarginine | [no description available] | medium | 11 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
c-peptide | [no description available] | medium | 5 | 0 | | |
boron | [no description available] | medium | 3 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
du-21220 | [no description available] | medium | 39 | 3 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
asenapine | [no description available] | medium | 1 | 0 | 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | |
sr 95531 | [no description available] | medium | 3 | 0 | methoxybenzenes | |
salicylates | [no description available] | medium | 5 | 0 | monohydroxybenzoate | plant metabolite |
alpha-fluoromethylhistidine | [no description available] | medium | 2 | 0 | | |
fluorescein-5-isothiocyanate | [no description available] | medium | 5 | 0 | fluorescein isothiocyanate | |
uroguanylin | [no description available] | medium | 1 | 0 | | |
propylene glycol | [no description available] | medium | 1 | 1 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
sb 242084 | [no description available] | medium | 1 | 0 | | |
sb 200646 | [no description available] | medium | 1 | 0 | indoles | |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 5 | 1 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
ym348 | [no description available] | medium | 1 | 0 | | |
indazoles | [no description available] | medium | 3 | 0 | indazole | |
alpha-aminopyridine | [no description available] | medium | 7 | 0 | | |
4-iodo-2,5-dimethoxyphenylisopropylamine | [no description available] | medium | 8 | 0 | amphetamines; dimethoxybenzene; organoiodine compound | |
chlorine | [no description available] | medium | 6 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
sb 222200 | [no description available] | medium | 3 | 0 | quinolines | |
toluene 2,4-diisocyanate | [no description available] | medium | 1 | 0 | toluene meta-diisocyanate | allergen; hapten |
dinitrochlorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
terlipressin | [no description available] | medium | 4 | 1 | polypeptide | |
nitrites | [no description available] | medium | 10 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 17 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
apelin-13 peptide | [no description available] | medium | 1 | 0 | oligopeptide | antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent |
biocytin | [no description available] | medium | 4 | 0 | azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas | mouse metabolite |
indophenol | [no description available] | medium | 2 | 0 | quinone imine | dye |
phaclofen | [no description available] | medium | 1 | 0 | organophosphate oxoanion; zwitterion | |
sk&f-38393 | [no description available] | medium | 4 | 0 | benzazepine; catechols; secondary amino compound | |
neurokinin a | [no description available] | medium | 4 | 0 | | |
substance p, sar(9)-met(o2)(11)- | [no description available] | medium | 1 | 0 | | |
substance p (6-11), tyr(6)-d-phe(7)-d-his(9)- | [no description available] | medium | 1 | 0 | | |
sch 23390 | [no description available] | medium | 2 | 0 | benzazepine | |
nickel | [no description available] | medium | 9 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
pyrrolidonecarboxylic acid | [no description available] | medium | 2 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
pyroglutamyl-histidyl-glycine | [no description available] | medium | 1 | 0 | | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 2 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
benzoxazoles | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
sb 334867-a | [no description available] | medium | 1 | 0 | naphthyridine derivative | |
rolipram | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
mdl 100907 | [no description available] | medium | 6 | 0 | | |
neocuproine | [no description available] | medium | 1 | 0 | phenanthrolines | chelator; copper chelator |
homocysteic acid | [no description available] | medium | 2 | 0 | homocysteic acid | NMDA receptor agonist |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
atipamezole | [no description available] | medium | 1 | 0 | | |
idazoxan | [no description available] | medium | 5 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
devazepide | [no description available] | medium | 9 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
ns 1643 | [no description available] | medium | 1 | 0 | | |
insulin, isophane | [no description available] | medium | 1 | 0 | | |
phenanthrenes | [no description available] | medium | 4 | 0 | | |
adrenomedullin | [no description available] | medium | 12 | 0 | | |
histidine | [no description available] | medium | 16 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
adenosine diphosphate | [no description available] | medium | 8 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
methylthio-adp | [no description available] | medium | 1 | 0 | | |
choline | [no description available] | medium | 10 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
5-(hydroxy-3-indolyl)lactic acid | [no description available] | medium | 1 | 0 | | |
cyclic adp-ribose | [no description available] | medium | 6 | 0 | cyclic purine nucleotide; nucleotide-sugar | metabolite; ryanodine receptor agonist |
zaprinast | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
ag 1879 | [no description available] | medium | 1 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
n,n-dimethylsphingenine | [no description available] | medium | 1 | 0 | aminodiol; sphingoid; tertiary amino compound | EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
sphingosine kinase | [no description available] | medium | 1 | 0 | | |
2-keto-4-methylvalerate | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | algal metabolite; human metabolite |
cromakalim | [no description available] | medium | 9 | 0 | | |
adenosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 3 | 0 | nucleoside triphosphate analogue | |
alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
cyclin d1 | [no description available] | medium | 1 | 0 | | |
l 372662 | [no description available] | medium | 2 | 0 | | |
clonixin | [no description available] | medium | 6 | 2 | aminopyridine; organochlorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent |
flunixin meglumine | [no description available] | medium | 5 | 2 | organoammonium salt | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
coumestrol | [no description available] | medium | 2 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
daidzein | [no description available] | medium | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
genistein | [no description available] | medium | 9 | 1 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
phytoestrogens | [no description available] | medium | 8 | 1 | | |
alpha-methyl-4-carboxyphenylglycine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | metabotropic glutamate receptor antagonist |
3,5-dihydroxyphenylglycine | [no description available] | medium | 2 | 0 | alpha-amino acid | |
norbinaltorphimine | [no description available] | medium | 10 | 0 | isoquinolines | |
histrelin | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; gonadotropin releasing hormone agonist |
estrone sulfate | [no description available] | medium | 4 | 1 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
tyrosyl-prolyl-leucyl-glycinamide | [no description available] | medium | 2 | 0 | | |
tryptamine | [no description available] | medium | 2 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
quinolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
sr 144528 | [no description available] | medium | 1 | 0 | bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide | CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor |
4-(3-3,4-p-menthadien-(1,8)-yl)olivetol | [no description available] | medium | 1 | 0 | | |
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | [no description available] | medium | 3 | 0 | | |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
drospirenone and ethinyl estradiol combination | [no description available] | medium | 1 | 0 | | |
sr141716 | [no description available] | medium | 5 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
divalinal-angiotensin iv | [no description available] | medium | 1 | 0 | | |
annetocin | [no description available] | medium | 4 | 0 | | |
naadp | [no description available] | medium | 1 | 0 | nicotinic acid dinucleotide | calcium channel agonist; metabolite; signalling molecule |
imipenem, anhydrous | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
inosine triphosphate | [no description available] | medium | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
mono-(2-ethylhexyl)phthalate | [no description available] | medium | 1 | 0 | phthalic acid monoester | |
enkephalin, ala(2)-mephe(4)-gly(5)- | [no description available] | medium | 8 | 0 | | |
oxadiazoles | [no description available] | medium | 9 | 0 | | |
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one | [no description available] | medium | 5 | 0 | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor |
simendan | [no description available] | medium | 1 | 0 | | |
camphor, (+-)-isomer | [no description available] | medium | 3 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
cephalosporin c | [no description available] | medium | 3 | 0 | cephalosporin | fungal metabolite |
n-hydroxysulfosuccinimide | [no description available] | medium | 1 | 0 | | |
carbodiimides | [no description available] | medium | 2 | 0 | carbodiimide | |
selenocysteine | [no description available] | medium | 1 | 0 | | |
vanillic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid; monohydroxybenzoic acid | plant metabolite |
typhaneoside | [no description available] | medium | 1 | 0 | flavonoids; glycoside | |
glycosides | [no description available] | medium | 3 | 0 | | |
o,p'-ddt | [no description available] | medium | 1 | 0 | diarylmethane | |
acepromazine | [no description available] | medium | 3 | 1 | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
sodium oxybate | [no description available] | medium | 2 | 0 | | |
glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
cysteinylglycine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
neuromedin b | [no description available] | medium | 1 | 0 | | |
peptide elongation factor 2 | [no description available] | medium | 3 | 0 | | |
prostaglandin f3alpha | [no description available] | medium | 1 | 0 | prostaglandins Falpha | |
tannins | [no description available] | medium | 4 | 0 | | |
proglumide | [no description available] | medium | 4 | 0 | benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate | anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite |
lorglumide | [no description available] | medium | 3 | 0 | benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative | |
7-nitroindazole | [no description available] | medium | 2 | 0 | | |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 14 | 0 | non-proteinogenic alpha-amino acid | |
tellurium | [no description available] | medium | 1 | 0 | chalcogen; metalloid atom | |
norleucine | [no description available] | medium | 1 | 0 | 2-aminohexanoic acid; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | |
cystamine | [no description available] | medium | 1 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
cadaverine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
monodansylcadaverine | [no description available] | medium | 1 | 0 | aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent |
1,3-dimethyl-2-((2-oxopropyl)thio)imidazolium | [no description available] | medium | 1 | 0 | imidazolium ion | |
asparagine | [no description available] | medium | 15 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
nickel chloride | [no description available] | medium | 1 | 0 | nickel coordination entity | calcium channel blocker; hapten |
sodium bisulfide | [no description available] | medium | 2 | 0 | | |
nbi-34041 | [no description available] | medium | 1 | 0 | | |
bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
1,2,3-trichlorobenzene | [no description available] | medium | 1 | 0 | trichlorobenzene | |
hexachlorobenzene | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
dynorphins | [no description available] | medium | 8 | 0 | | |
citral | [no description available] | medium | 1 | 0 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
cholic acid | [no description available] | medium | 2 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
metaraminol | [no description available] | medium | 5 | 1 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
barium chloride | [no description available] | medium | 12 | 0 | barium salt; inorganic chloride | potassium channel blocker |
oligomycins | [no description available] | medium | 1 | 0 | | |
calpeptin | [no description available] | medium | 1 | 0 | amino acid amide | |
imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
thymol | [no description available] | medium | 3 | 0 | monoterpenoid; phenols | volatile oil component |
gö6983 | [no description available] | medium | 1 | 0 | indoles; maleimides | |
chitosan | [no description available] | medium | 1 | 0 | | |
spermine | [no description available] | medium | 5 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
trifluoroacetic acid | [no description available] | medium | 2 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
2,2'-dithiobis(5-nitropyridine) | [no description available] | medium | 1 | 0 | | |
angiotensin i | [no description available] | medium | 9 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
pd 184161 | [no description available] | medium | 1 | 0 | | |
alpha-linolenic acid | [no description available] | medium | 3 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
cytidine diphosphate choline | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
acyl carrier protein (65-74) | [no description available] | medium | 1 | 0 | | |
ether | [no description available] | medium | 11 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
deoxyglucose | [no description available] | medium | 10 | 0 | | |
cl 316243 | [no description available] | medium | 3 | 0 | | |
ici 118551 | [no description available] | medium | 7 | 0 | aromatic ether; indanes; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
sr 59230a | [no description available] | medium | 2 | 0 | | |
epelsiban | [no description available] | medium | 1 | 0 | dipeptide | |
oxidopamine | [no description available] | medium | 15 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
thiourea | [no description available] | medium | 6 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 2 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
kb r7943 | [no description available] | medium | 1 | 0 | | |
egtazic acid | [no description available] | medium | 24 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid | [no description available] | medium | 3 | 0 | arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde | purinergic receptor P2X antagonist |
suramin | [no description available] | medium | 5 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
pyridoxal phosphate | [no description available] | medium | 4 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
rx 821002 | [no description available] | medium | 1 | 0 | benzodioxine; cyclic ketal; imidazolines | alpha-adrenergic antagonist |
moxonidine | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
isoliquiritigenin | [no description available] | medium | 1 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
citrulline | [no description available] | medium | 5 | 0 | amino acid zwitterion; citrulline | Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite |
s-methylthiocitrulline | [no description available] | medium | 1 | 0 | imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent |
pd 176252 | [no description available] | medium | 1 | 0 | | |
rc 3095 | [no description available] | medium | 1 | 0 | | |
fluorodeoxyglucose f18 | [no description available] | medium | 1 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
acid phosphatase | [no description available] | medium | 15 | 0 | | |
sb 408124 | [no description available] | medium | 1 | 0 | organohalogen compound; quinolines | |
bay 11-7082 | [no description available] | medium | 1 | 0 | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
adenine | [no description available] | medium | 7 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
9-(tetrahydro-2-furyl)-adenine | [no description available] | medium | 2 | 0 | | |
2',3'-o-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | C-nitro compound; spiroketal | antagonist |
benzoylecgonine | [no description available] | medium | 1 | 0 | benzoate ester; tropane alkaloid | epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite |
trelstar | [no description available] | medium | 5 | 0 | | |
2-amino-5-phosphonovalerate | [no description available] | medium | 6 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
testosterone undecanoate | [no description available] | medium | 1 | 1 | steroid ester | |
rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
arecoline | [no description available] | medium | 3 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
prolylleucine | [no description available] | medium | 5 | 0 | | |
calca protein, human | [no description available] | medium | 2 | 0 | | |
ozone | [no description available] | medium | 2 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
inositol | [no description available] | medium | 8 | 0 | cyclitol; hexol | |
3-mercaptopropionic acid | [no description available] | medium | 2 | 0 | mercaptopropanoic acid | algal metabolite |
benzo(a)pyrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 3 | 0 | | |
sodium fluoride | [no description available] | medium | 3 | 0 | fluoride salt | mutagen |
bedoradrine | [no description available] | medium | 1 | 0 | | |
contraceptives, postcoital | [no description available] | medium | 2 | 0 | | |
caseins | [no description available] | medium | 13 | 0 | | |
alpha-hydroxy-gamma-methylmercaptobutyric acid | [no description available] | medium | 1 | 0 | thia fatty acid | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 5 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
fluorobenzenes | [no description available] | medium | 4 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
thiobutabarbital | [no description available] | medium | 1 | 0 | | |
thiopental | [no description available] | medium | 29 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
mibefradil | [no description available] | medium | 2 | 0 | tetralins | T-type calcium channel blocker |
l 365260 | [no description available] | medium | 4 | 0 | benzodiazepine | |
5,7-dihydroxytryptamine | [no description available] | medium | 3 | 0 | | |
5-amino-2,4-dihydroxy-alpha-methylphenylethylamine | [no description available] | medium | 5 | 0 | | |
alanyl-glutamyl-aspartyl-glycine | [no description available] | medium | 1 | 0 | | |
dantrolene | [no description available] | medium | 2 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
l 366948 | [no description available] | medium | 11 | 0 | | |
hexamethonium | [no description available] | medium | 9 | 0 | quaternary ammonium salt | |
amastatin | [no description available] | medium | 4 | 0 | tetrapeptide | EC 3.4.11.* (aminopeptidase) inhibitor; protease inhibitor |
phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-arginyl-phenylalaninamide | [no description available] | medium | 2 | 0 | | |
ascorbate-2-phosphate | [no description available] | medium | 1 | 0 | aldonolactone phosphate | |
tert-butylbicyclophosphorothionate | [no description available] | medium | 1 | 0 | organic thiophosphate | |
5-carboxamidotryptamine | [no description available] | medium | 1 | 0 | tryptamines | |
pd 123319 | [no description available] | medium | 1 | 0 | imidazopyridine | angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent |
phenol | [no description available] | medium | 2 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
r 121919 | [no description available] | medium | 1 | 0 | | |
phenethylamine | [no description available] | medium | 1 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
desflurane | [no description available] | medium | 3 | 0 | organofluorine compound | inhalation anaesthetic |
cefuroxime | [no description available] | medium | 1 | 0 | carbamate ester; cephalosporin | |
kaurenoic acid | [no description available] | medium | 1 | 0 | | |
uridine triphosphate | [no description available] | medium | 2 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
androstane-3,17-diol glucuronide | [no description available] | medium | 1 | 0 | steroid ester | |
leukotriene c4 | [no description available] | medium | 2 | 0 | leukotriene | bronchoconstrictor agent; human metabolite; mouse metabolite |
linsidomine | [no description available] | medium | 4 | 0 | morpholines | |
molsidomine | [no description available] | medium | 4 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
fura-2 | [no description available] | medium | 26 | 0 | | |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 2 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
fenfluramine | [no description available] | medium | 7 | 1 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
beta-funaltrexamine | [no description available] | medium | 4 | 0 | morphinane alkaloid | |
naltrindole | [no description available] | medium | 3 | 0 | isoquinolines | |
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid | [no description available] | medium | 1 | 0 | azamacrocycle | chelator; copper chelator |
promegestone | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | antineoplastic agent; progesterone receptor agonist; progestin |
pentolinium tartrate | [no description available] | medium | 3 | 0 | tartrate salt | antihypertensive agent |
muramidase | [no description available] | medium | 9 | 0 | | |
pyrilamine | [no description available] | medium | 5 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
pronarcon | [no description available] | medium | 1 | 0 | barbiturates | |
peroxyformic acid | [no description available] | medium | 6 | 0 | | |
bromine | [no description available] | medium | 5 | 0 | diatomic bromine | |
cyclopropane | [no description available] | medium | 7 | 0 | cycloalkane; cyclopropanes | inhalation anaesthetic |
strychnine | [no description available] | medium | 4 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
trichloroethylene | [no description available] | medium | 2 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
sulfur | [no description available] | medium | 8 | 0 | chalcogen; nonmetal atom | macronutrient |
hexobarbital | [no description available] | medium | 3 | 0 | barbiturates | |
phenothiazine | [no description available] | medium | 2 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
isoglutamine | [no description available] | medium | 1 | 0 | amino acid amide; glutamic acid derivative | |
orabase | [no description available] | medium | 1 | 0 | | |
methylcellulose | [no description available] | medium | 6 | 1 | | |
carbonic acid | [no description available] | medium | 2 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
propipocaine | [no description available] | medium | 1 | 0 | aromatic ketone | |
carbon tetrachloride | [no description available] | medium | 3 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
desoxycorticosterone | [no description available] | medium | 20 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
angiotensin amide | [no description available] | medium | 3 | 0 | oligopeptide | |
kallidin | [no description available] | medium | 10 | 0 | peptide | |
4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
nitrophenols | [no description available] | medium | 2 | 0 | | |
alpha-chymotrypsin | [no description available] | medium | 16 | 0 | | |
isoleucine | [no description available] | medium | 26 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
nandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
desoxycorticosterone acetate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
pregnanediol | [no description available] | medium | 14 | 0 | | |
estriol | [no description available] | medium | 82 | 4 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
promazine | [no description available] | medium | 4 | 1 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
thiobarbital | [no description available] | medium | 2 | 0 | | |
dibucaine | [no description available] | medium | 3 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
lysergic acid diethylamide | [no description available] | medium | 7 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
tripelennamine | [no description available] | medium | 3 | 0 | aromatic amine | |
methotrimeprazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
puromycin | [no description available] | medium | 7 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
dihydroergotoxine | [no description available] | medium | 5 | 0 | | |
cyanates | [no description available] | medium | 4 | 0 | | |
adiphenine | [no description available] | medium | 1 | 0 | diarylmethane | |
chloroform | [no description available] | medium | 3 | 1 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
tubocurarine | [no description available] | medium | 4 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
barium | [no description available] | medium | 42 | 0 | alkaline earth metal atom; elemental barium | |
hydroxydione | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-5beta-steroid; primary alpha-hydroxy ketone | human xenobiotic metabolite |
galactose | [no description available] | medium | 2 | 0 | | |
aminopyrine | [no description available] | medium | 1 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
creatine | [no description available] | medium | 3 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
eledoisin | [no description available] | medium | 18 | 0 | peptide | |
testosterone propionate | [no description available] | medium | 1 | 0 | steroid ester | |
dichloroisoproterenol | [no description available] | medium | 2 | 0 | | |
norethindrone | [no description available] | medium | 6 | 1 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
barbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; xenobiotic |
ouabain | [no description available] | medium | 25 | 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 |
amobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
n-methyltryptamine | [no description available] | medium | 1 | 0 | tryptamine alkaloid; tryptamines | metabolite |
prethcamide | [no description available] | medium | 1 | 0 | | |
diiodotyrosine | [no description available] | medium | 2 | 0 | diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite |
iodine | [no description available] | medium | 6 | 0 | halide anion; monoatomic iodine | human metabolite |
thyronines | [no description available] | medium | 1 | 0 | thyronine | |
alpha-aminobutyric acid | [no description available] | medium | 1 | 0 | alpha-aminobutyric acid; D-alpha-amino acid | |
gallamine triethiodide | [no description available] | medium | 2 | 0 | | |
1,1'-diethyl-2,2'-cyanine | [no description available] | medium | 1 | 0 | 1,1'-diethyl-2,2'-cyanine; quinolines | |
methoxamine | [no description available] | medium | 9 | 1 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
mephentermine | [no description available] | medium | 1 | 0 | amphetamines | |
dihydroxyphenylalanine | [no description available] | medium | 7 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
5-hydroxytryptophan | [no description available] | medium | 6 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
ethylmaleimide | [no description available] | medium | 8 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
tolazoline | [no description available] | medium | 7 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
metaperiodate | [no description available] | medium | 2 | 0 | iodine oxoacid | |
dicumarol | [no description available] | medium | 2 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
halopropane | [no description available] | medium | 1 | 0 | organofluorine compound | |
propane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | food propellant |
methylthiouracil | [no description available] | medium | 2 | 0 | pyrimidone | |
cystine | [no description available] | medium | 48 | 0 | | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 2 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
glycerol | [no description available] | medium | 14 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
hydrazine | [no description available] | medium | 8 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
cyromazine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | mouse metabolite; triazine insecticide |
sodium citrate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | anticoagulant; flavouring agent |
ovalbumin | [no description available] | medium | 5 | 0 | | |
n-pentyl nitrite | [no description available] | medium | 2 | 0 | nitrite esters | vasodilator agent |
manganese | [no description available] | medium | 22 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
androstan-3-one | [no description available] | medium | 1 | 0 | | |
psilocybin | [no description available] | medium | 1 | 0 | organic phosphate; tertiary amino compound; tryptamine alkaloid | fungal metabolite; hallucinogen; prodrug; serotonergic agonist |
pronethalol | [no description available] | medium | 2 | 0 | naphthalenes | |
azapetine | [no description available] | medium | 1 | 0 | benzazepine | |
lignans | [no description available] | medium | 1 | 0 | | |
honokiol | [no description available] | medium | 1 | 0 | biphenyls | |
magnolol | [no description available] | medium | 1 | 0 | biphenyls | |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | medium | 2 | 0 | aromatic ether; C-nitro compound; sulfonamide | antineoplastic agent; cyclooxygenase 2 inhibitor |
valerylsalicylate | [no description available] | medium | 1 | 0 | benzoic acids; salicylates; valerate ester | cyclooxygenase 1 inhibitor |
taurine | [no description available] | medium | 7 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
eticlopride | [no description available] | medium | 1 | 0 | salicylamides | |
enkephalin, leucine-2-alanine | [no description available] | medium | 6 | 0 | | |
vanadates | [no description available] | medium | 15 | 0 | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
14-deoxyandrographolide | [no description available] | medium | 1 | 0 | | |
cyanides | [no description available] | medium | 7 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
gemeprost | [no description available] | medium | 7 | 1 | aliphatic alcohol | |
emoxypine succinate | [no description available] | medium | 1 | 0 | | |
delta sleep-inducing peptide | [no description available] | medium | 5 | 0 | | |
cyproterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
y 27632 | [no description available] | medium | 5 | 0 | aromatic amide | |
cobalt | [no description available] | medium | 10 | 0 | cobalt group element atom; metal allergen | micronutrient |
8-bromocyclic gmp | [no description available] | medium | 6 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
formic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
indole | [no description available] | medium | 1 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
benzyl isothiocyanate | [no description available] | medium | 1 | 0 | benzenes; isothiocyanate | antibacterial drug |
pd 98059 | [no description available] | medium | 1 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
adenosine-3',5'-cyclic phosphorothioate | [no description available] | medium | 2 | 0 | nucleoside 3',5'-cyclic phosphorothioate | |
calcimycin | [no description available] | medium | 32 | 0 | benzoxazole | |
ryanodine | [no description available] | medium | 8 | 0 | | |
3,4-dihydroxyphenylglycol | [no description available] | medium | 1 | 0 | catechols; tetrol | metabolite; mouse metabolite |
methoxyhydroxyphenylglycol | [no description available] | medium | 3 | 0 | methoxybenzenes; phenols | |
clocinnamox | [no description available] | medium | 1 | 0 | | |
charybdotoxin | [no description available] | medium | 2 | 0 | | |
lysophosphatidic acid | [no description available] | medium | 1 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
cadmium chloride | [no description available] | medium | 1 | 0 | cadmium coordination entity | |
u 73343 | [no description available] | medium | 2 | 0 | | |
fura-2-am | [no description available] | medium | 3 | 0 | | |
hexoprenaline | [no description available] | medium | 2 | 0 | | |
gamma-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
gentamicin | [no description available] | medium | 4 | 0 | | |
guanylyl imidodiphosphate | [no description available] | medium | 2 | 0 | nucleoside triphosphate analogue | |
hexarelin | [no description available] | medium | 1 | 0 | | |
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | [no description available] | medium | 1 | 0 | | |
phosphotyrosine | [no description available] | medium | 2 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
kt 5720 | [no description available] | medium | 2 | 0 | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor |
proctolin | [no description available] | medium | 5 | 0 | | |
fmrfamide | [no description available] | medium | 11 | 0 | | |
phosphothreonine | [no description available] | medium | 1 | 0 | L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid | Escherichia coli metabolite |
oxepins | [no description available] | medium | 4 | 0 | | |
metergoline | [no description available] | medium | 2 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
lucifer yellow | [no description available] | medium | 7 | 0 | organic lithium salt | fluorochrome |
fg 9041 | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
endomorphin 2 | [no description available] | medium | 2 | 0 | | |
prolyl-leucyl-glycine | [no description available] | medium | 2 | 0 | oligopeptide | |
phencyclidine | [no description available] | medium | 2 | 1 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
medroxyprogesterone acetate | [no description available] | medium | 5 | 1 | 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 |
pd 168,077 | [no description available] | medium | 2 | 0 | piperazines | |
staurosporine | [no description available] | medium | 7 | 0 | ammonium ion derivative | |
astressin | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; polypeptide | corticotropin-releasing factor receptor antagonist; neuroprotective agent |
brimonidine tartrate | [no description available] | medium | 3 | 0 | | |
amfonelic acid | [no description available] | medium | 1 | 0 | | |
oligonucleotides | [no description available] | medium | 10 | 0 | | |
bupranolol | [no description available] | medium | 2 | 0 | aromatic ether | |
brl 37344 | [no description available] | medium | 3 | 0 | monocarboxylic acid | |
20-hydroxy-5,8,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HETE; hydroxy monocarboxylic acid | human metabolite; mouse metabolite |
8,11,14-eicosatrienoic acid | [no description available] | medium | 1 | 0 | fatty acid 20:3; long-chain fatty acid | fungal metabolite; human metabolite; nutraceutical |
1-aminobenzotriazole | [no description available] | medium | 1 | 0 | | |
20-alpha-dihydroprogesterone | [no description available] | medium | 4 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
cesium | [no description available] | medium | 2 | 0 | alkali metal atom | |
snx 482 | [no description available] | medium | 2 | 0 | | |
1-palmitoyl-2-oleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | | |
buserelin | [no description available] | medium | 5 | 0 | oligopeptide | |
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol | [no description available] | medium | 2 | 0 | | |
2'-iodospiperone | [no description available] | medium | 1 | 0 | | |
spiperone | [no description available] | medium | 4 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
sch 23982 | [no description available] | medium | 1 | 0 | | |
thioperamide | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
rtki cpd | [no description available] | medium | 1 | 0 | | |
4-butyrolactone | [no description available] | medium | 2 | 0 | butan-4-olide | metabolite; neurotoxin |
butenolide | [no description available] | medium | 1 | 0 | butenolide | |
gadolinium chloride | [no description available] | medium | 1 | 0 | gadolinium coordination entity | TRP channel blocker |
ligustilide | [no description available] | medium | 1 | 0 | butenolide | metabolite |
ethacridine | [no description available] | medium | 10 | 7 | acridines | |
xanthomicrol | [no description available] | medium | 1 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
1-(2-trifluoromethylphenyl)imidazole | [no description available] | medium | 1 | 0 | imidazoles | |
guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 13 | 0 | nucleoside triphosphate analogue | |
pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
l 745870 | [no description available] | medium | 1 | 0 | piperazines | |
dinoprost tromethamine | [no description available] | medium | 3 | 0 | organic molecular entity | |
nile blue | [no description available] | medium | 1 | 0 | | |
1-carboxyglutamic acid | [no description available] | medium | 1 | 0 | | |
cgp 12177 | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
zd 7288 | [no description available] | medium | 2 | 0 | | |
ro 31-8220 | [no description available] | medium | 3 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
go 6976 | [no description available] | medium | 2 | 0 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
ruboxistaurin | [no description available] | medium | 1 | 0 | | |
arsenic | [no description available] | medium | 3 | 0 | metalloid atom; pnictogen | micronutrient |
oxophenylarsine | [no description available] | medium | 1 | 0 | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
true blue | [no description available] | medium | 2 | 0 | | |
butyl nicotinate | [no description available] | medium | 1 | 0 | | |
ethylnicotinate | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
technetium tc 99m depreotide | [no description available] | medium | 1 | 0 | | |
edda | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; ethylenediamine derivative; glycine derivative; polyamino carboxylic acid | bacterial xenobiotic metabolite; chelator |
6-hydrazinopyridine-3-carboxylic acid | [no description available] | medium | 1 | 0 | | |
rumenic acid | [no description available] | medium | 1 | 0 | octadeca-9,11-dienoic acid | |
trans-10,cis-12-conjugated linoleic acid | [no description available] | medium | 1 | 0 | octadeca-10,12-dienoic acid | |
cesium chloride | [no description available] | medium | 1 | 0 | inorganic caesium salt; inorganic chloride | phase-transfer catalyst; vasoconstrictor agent |
5-alpha-dihydroprogesterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone | human metabolite; progestogen |
hypoxanthine | [no description available] | medium | 1 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
xanthine | [no description available] | medium | 1 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
activins | [no description available] | medium | 7 | 0 | | |
tetragastrin | [no description available] | medium | 3 | 1 | peptidyl amide; tetrapeptide | anxiogenic; human metabolite |
goralatide | [no description available] | medium | 1 | 0 | oligopeptide; tetrapeptide | anti-inflammatory agent; pro-angiogenic agent |
angiotensin ii, des-phe(8)- | [no description available] | medium | 3 | 0 | amino acid zwitterion; angiotensin | vasodilator agent |
suberoyl bis-hydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid | |
7-hydroxy-2-n,n-dipropylaminotetralin | [no description available] | medium | 2 | 0 | tetralins | |
sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
ethyl chloride | [no description available] | medium | 1 | 0 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
hexestrol | [no description available] | medium | 5 | 0 | stilbenoid | |
ornithine | [no description available] | medium | 11 | 1 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
delphinidin | [no description available] | medium | 2 | 0 | anthocyanidin chloride | |
cellulose | [no description available] | medium | 3 | 1 | glycoside | |
strontium | [no description available] | medium | 6 | 0 | alkaline earth metal atom | |
acth (7-38) | [no description available] | medium | 1 | 0 | | |
corticotropin-like intermediate lobe peptide | [no description available] | medium | 1 | 0 | | |
ay 25,205 | [no description available] | medium | 1 | 0 | | |
fluprostenol | [no description available] | medium | 12 | 1 | (trifluoromethyl)benzenes; hydroxy monocarboxylic acid; prostaglandins Falpha | abortifacient; antiglaucoma drug; antihypertensive agent; female contraceptive drug; prostaglandin receptor agonist |
bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
15-keto-13,14-dihydroprostaglandin e2 | [no description available] | medium | 4 | 1 | prostaglandins E | |
argipressin, des-glynh2(9)- | [no description available] | medium | 14 | 1 | | |
acth (4-10) | [no description available] | medium | 3 | 0 | | |
acth (4-7) | [no description available] | medium | 2 | 0 | | |
racemetirosine | [no description available] | medium | 8 | 0 | | |
cosyntropin | [no description available] | medium | 12 | 0 | | |
big gastrin | [no description available] | medium | 1 | 0 | | |
somatostatin-28 | [no description available] | medium | 2 | 0 | | |
motilin | [no description available] | medium | 4 | 0 | | |
alpha-neoendorphin | [no description available] | medium | 7 | 0 | | |
rimorphin | [no description available] | medium | 2 | 0 | | |
dynorphin (1-8) | [no description available] | medium | 10 | 0 | | |
carazolol | [no description available] | medium | 3 | 0 | carbazoles | |
d 2343 | [no description available] | medium | 1 | 0 | | |
octopamine | [no description available] | medium | 2 | 0 | phenylethanolamines; tyramines | neurotransmitter |
dibutyryl cyclic gmp | [no description available] | medium | 2 | 0 | | |
gramicidin a | [no description available] | medium | 4 | 0 | | |
alumichrome | [no description available] | medium | 1 | 0 | | |
zinostatin | [no description available] | medium | 1 | 0 | | |
alpha-endorphin | [no description available] | medium | 1 | 0 | | |
gamma-endorphin | [no description available] | medium | 2 | 0 | | |
n-methylalanine | [no description available] | medium | 3 | 0 | amino acid zwitterion; methyl-L-alanine | |
beta-alanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
sepharose | [no description available] | medium | 4 | 0 | | |
tetrandrine | [no description available] | medium | 5 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
lanthanum | [no description available] | medium | 16 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
deuterium | [no description available] | medium | 23 | 0 | dihydrogen | |
gallopamil | [no description available] | medium | 6 | 0 | benzenes; organic amino compound | |
thioglycerol | [no description available] | medium | 2 | 0 | propane-1,2-diols; thiol | reducing agent; vulnerary |
argipressin, phe(2)- | [no description available] | medium | 4 | 0 | | |
enkephalin-met, ala(2)- | [no description available] | medium | 1 | 0 | | |
rubidium | [no description available] | medium | 6 | 0 | alkali metal atom | |
angiotensin iii | [no description available] | medium | 1 | 0 | | |
saralasin | [no description available] | medium | 4 | 0 | oligopeptide | |
phenylisothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | allergen; reagent |
flupenthixol | [no description available] | medium | 1 | 0 | thioxanthenes | |
thromboxane b2 | [no description available] | medium | 6 | 0 | thromboxanes B | human metabolite; mouse metabolite |
phosphorus radioisotopes | [no description available] | medium | 6 | 0 | | |
acridines | [no description available] | medium | 6 | 2 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
proadifen | [no description available] | medium | 3 | 0 | diarylmethane | |
ammonium hydroxide | [no description available] | medium | 4 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
acetone | [no description available] | medium | 12 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
kaolinite | [no description available] | medium | 2 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
nacartocin | [no description available] | medium | 5 | 0 | | |
inosine | [no description available] | medium | 1 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
prolyl-lysyl-glycinamide | [no description available] | medium | 1 | 0 | | |
vasopressin, 9-des-gly-nh(2)-lys- | [no description available] | medium | 2 | 0 | | |
argipressin, asu(1,6)- | [no description available] | medium | 1 | 0 | | |
xenon radioisotopes | [no description available] | medium | 1 | 0 | | |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 13 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
bradykinin, met-lys- | [no description available] | medium | 1 | 0 | | |
bradykinin, des-arg(9)- | [no description available] | medium | 1 | 0 | oligopeptide | bradykinin receptor B2 agonist |
cinnamedrine | [no description available] | medium | 1 | 0 | | |
bisecurin i | [no description available] | medium | 1 | 0 | | |
ethynodiol diacetate | [no description available] | medium | 1 | 0 | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
norgestrel | [no description available] | medium | 2 | 0 | | |
mestranol | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
glycine amide | [no description available] | medium | 3 | 0 | amino acid amide; glycine derivative | |
pargyline | [no description available] | medium | 2 | 0 | aromatic amine | |
indocyanine green | [no description available] | medium | 2 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
thromboxanes | [no description available] | medium | 2 | 0 | | |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 3 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
glutaral | [no description available] | medium | 3 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt; salicylates | |
oxytocin, 1-desamino-(o-et-tyr)(2)- | [no description available] | medium | 6 | 0 | | |
alpha-ergocryptine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
ergotoxine | [no description available] | medium | 2 | 0 | | |
lidamidine | [no description available] | medium | 1 | 0 | ureas | |
1-(beta-mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-(o-ethyl-tyr)-4-val-arginine vasopressin | [no description available] | medium | 2 | 0 | | |
argipressin,beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-val(4)- | [no description available] | medium | 1 | 0 | | |
vasopressin, 1-deamino-4-val-8-arg- | [no description available] | medium | 9 | 0 | | |
prostaglandin f-main urinary metabolite | [no description available] | medium | 1 | 0 | | |
3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
oxythiamine | [no description available] | medium | 1 | 0 | 1,3-thiazolium cation | antimetabolite; vitamin B1 antagonist |
vasicine | [no description available] | medium | 1 | 0 | | |
salicylic acid | [no description available] | medium | 13 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
benzotriazol-1-yloxy-tris(dimethylamino)phosphonium | [no description available] | medium | 1 | 0 | | |
oxytocin, n-acetyl-2-o-methyl-tyr- | [no description available] | medium | 5 | 0 | | |
pyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
carbidopa | [no description available] | medium | 1 | 0 | | |
fucose | [no description available] | medium | 2 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
neostigmine | [no description available] | medium | 10 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
azastene | [no description available] | medium | 1 | 0 | | |
aprikalim | [no description available] | medium | 3 | 0 | | |
1-amino-1,3-dicarboxycyclopentane | [no description available] | medium | 3 | 0 | | |
2,5-di-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | |
2-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | food antioxidant |
nitroarginine | [no description available] | medium | 7 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
bq 123 | [no description available] | medium | 1 | 0 | cyclic peptide | |
thimerosal | [no description available] | medium | 1 | 0 | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
fluorides | [no description available] | medium | 12 | 0 | halide anion; monoatomic fluorine | |
aluminum fluoride | [no description available] | medium | 7 | 0 | aluminium coordination entity | |
tyrosyltyrosine | [no description available] | medium | 1 | 0 | tyrosyltyrosine | Mycoplasma genitalium metabolite |
pancreastatin | [no description available] | medium | 1 | 0 | | |
chapso | [no description available] | medium | 4 | 0 | | |
s-(2-chloroethyl)glutathione | [no description available] | medium | 1 | 0 | oligopeptide | |
guanosine triphosphate | [no description available] | medium | 8 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
beta-escin | [no description available] | medium | 1 | 0 | triterpenoid saponin | |
hydrin 2 | [no description available] | medium | 5 | 0 | | |
n-methylscopolamine | [no description available] | medium | 2 | 0 | | |
hydrochloric acid | [no description available] | medium | 4 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
tachyplesin peptide, tachypleus tridentatus | [no description available] | medium | 1 | 0 | | |
silicon tetrachloride | [no description available] | medium | 1 | 0 | | |
sodium iodide | [no description available] | medium | 2 | 0 | inorganic sodium salt; iodide salt | |
2-ethyl-8-methyl-2,8-diazaspiro(4,5)decane-1,3-dione | [no description available] | medium | 1 | 0 | | |
icatibant | [no description available] | medium | 2 | 0 | | |
carbocyanines | [no description available] | medium | 1 | 0 | cyanine dye; organic iodide salt | fluorochrome |
entonox | [no description available] | medium | 3 | 0 | | |
tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
concanavalin a | [no description available] | medium | 2 | 0 | | |
aluminum | [no description available] | medium | 4 | 0 | boron group element atom; elemental aluminium; metal atom | |
fluorine | [no description available] | medium | 6 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
methylene blue | [no description available] | medium | 8 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
8-((4-chlorophenyl)thio)cyclic-3',5'-amp | [no description available] | medium | 6 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound | protein kinase agonist |
cytisine | [no description available] | medium | 1 | 0 | alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound | nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
cytochalasin d | [no description available] | medium | 1 | 0 | | |
w 7 | [no description available] | medium | 3 | 0 | | |
kt 5926 | [no description available] | medium | 2 | 0 | gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound; tertiary alcohol | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
methoxyacetic acid | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
argipressin, deaminopenicillamine(1)-val(4)- | [no description available] | medium | 2 | 0 | | |
monensin | [no description available] | medium | 3 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
p-chloroamphetamine | [no description available] | medium | 1 | 0 | | |
ibotenic acid | [no description available] | medium | 7 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
achatin i | [no description available] | medium | 2 | 0 | | |
alanyl-prolyl-glycyl-tryptophanamide | [no description available] | medium | 2 | 0 | | |
phorbol 12,13-dibutyrate | [no description available] | medium | 9 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
pn 202-791 | [no description available] | medium | 1 | 0 | benzoxadiazole; isopropyl ester | |
1,4-dihydropyridine | [no description available] | medium | 2 | 0 | | |
dihydropyridines | [no description available] | medium | 4 | 0 | | |
masoprocol | [no description available] | medium | 6 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
ipsapirone | [no description available] | medium | 5 | 2 | N-arylpiperazine | |
thymidine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
transforming growth factor alpha | [no description available] | medium | 2 | 0 | | |
framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
1-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; N-arylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
hepes | [no description available] | medium | 2 | 0 | HEPES; organosulfonic acid | |
bwa 4c | [no description available] | medium | 3 | 0 | | |
vasopressin, deamino-homo-arg- | [no description available] | medium | 3 | 0 | | |
indolactam v | [no description available] | medium | 1 | 0 | indoles | |
r 59022 | [no description available] | medium | 4 | 0 | diarylmethane | |
melitten | [no description available] | medium | 3 | 0 | | |
aristolochic acid i | [no description available] | medium | 2 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
quinelorane | [no description available] | medium | 3 | 0 | quinazolines | |
cy 208-243 | [no description available] | medium | 3 | 0 | phenanthridines | |
boldine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
glaucine | [no description available] | medium | 1 | 0 | aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound | antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite |
enkephalin, d-penicillamine (2,5)- | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | delta-opioid receptor agonist |
cyclosporine | [no description available] | medium | 1 | 0 | | |
fructose 2,6-diphosphate | [no description available] | medium | 2 | 0 | D-fructofuranose 2,6-bisphosphate | human metabolite; mouse metabolite |
pressinoic acid | [no description available] | medium | 3 | 0 | | |
calpastatin | [no description available] | medium | 1 | 0 | polypeptide | EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor |
pepstatin | [no description available] | medium | 1 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
oxytocin, pen(1)-(4-mephe)(2)-thr(4)-orn(8)- | [no description available] | medium | 7 | 0 | | |
prostaglandin f1 | [no description available] | medium | 2 | 0 | prostaglandins Falpha | human metabolite |
ritanserin | [no description available] | medium | 2 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
nan 190 | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-arylpiperazine; phthalimides | serotonergic antagonist |
alfaprostol | [no description available] | medium | 5 | 0 | | |
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | [no description available] | medium | 2 | 0 | isoquinolines; sulfonamide | |
leukotriene b4 | [no description available] | medium | 3 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
ru-28362 | [no description available] | medium | 1 | 0 | | |
xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
bremazocine | [no description available] | medium | 3 | 0 | | |
a 71623 | [no description available] | medium | 1 | 0 | | |
2-iodomelatonin | [no description available] | medium | 1 | 0 | acetamides | |
argipressin, val(4)- | [no description available] | medium | 4 | 0 | | |
gallic acid | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
oxodipine | [no description available] | medium | 1 | 0 | | |
isoguvacine | [no description available] | medium | 2 | 0 | tetrahydropyridine | |
2-aminosuberic acid | [no description available] | medium | 1 | 0 | | |
ly 53857 | [no description available] | medium | 1 | 0 | | |
5,6-dihydroxytryptamine | [no description available] | medium | 1 | 0 | | |
saclofen | [no description available] | medium | 1 | 0 | organochlorine compound | |
phosphatidylethanol | [no description available] | medium | 1 | 0 | | |
dideoxyadenosine | [no description available] | medium | 1 | 0 | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
2',5'-dideoxyadenosine | [no description available] | medium | 1 | 0 | deoxyribonucleoside | |
carboxypeptidase b | [no description available] | medium | 5 | 0 | | |
neuropeptide y, leu(31)-pro(34)- | [no description available] | medium | 2 | 0 | | |
thiolactic acid | [no description available] | medium | 2 | 0 | mercaptopropanoic acid | |
ubenimex | [no description available] | medium | 3 | 0 | | |
glycerophosphoethanolamine | [no description available] | medium | 1 | 0 | phosphoethanolamine; sn-glycerol 3-phosphates | |
physalaemin | [no description available] | medium | 3 | 0 | | |
oxalates | [no description available] | medium | 2 | 0 | | |
benoxathian | [no description available] | medium | 4 | 0 | | |
segetalin a | [no description available] | medium | 1 | 0 | | |
segetalin b | [no description available] | medium | 1 | 0 | | |
2-propyl-2,4-pentadienoic acid | [no description available] | medium | 1 | 0 | methyl-branched fatty acid | |
dihydroalprenolol | [no description available] | medium | 2 | 0 | | |
argipressin (4-9) | [no description available] | medium | 5 | 0 | | |
hemicholinium 3 | [no description available] | medium | 3 | 0 | | |
2,8-dimethyl-3-methylene-1-oxa-8-azaspiro(4,5)decane | [no description available] | medium | 1 | 0 | | |
beta-escin | [no description available] | medium | 4 | 0 | | |
12-deoxyphorbol 13-isobutyrate | [no description available] | medium | 1 | 0 | | |
spiradoline | [no description available] | medium | 1 | 0 | | |
patulin | [no description available] | medium | 1 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
gossypol | [no description available] | medium | 2 | 0 | | |
u 69593 | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound | anti-inflammatory agent; diuretic; kappa-opioid receptor agonist |
5-methoxy-6-methyl-2-aminoindan | [no description available] | medium | 1 | 0 | | |
3,4-methylenedioxyamphetamine | [no description available] | medium | 36 | 0 | benzodioxoles | |
3,4-methylenedioxyamphetamine | [no description available] | medium | 36 | 3 | benzodioxoles | |
n-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine | [no description available] | medium | 1 | 0 | | |
4-methylthioamphetamine | [no description available] | medium | 1 | 0 | | |
ochratoxin a | [no description available] | medium | 1 | 0 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
helium | [no description available] | medium | 1 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
borogluconate | [no description available] | medium | 2 | 1 | | |
trifluoroethanol | [no description available] | medium | 2 | 0 | fluoroalcohol | |
4-hydroxy-2',4',6'-trichlorobiphenyl | [no description available] | medium | 1 | 0 | biphenyls; trichlorobenzene | |
aluminum chloride | [no description available] | medium | 1 | 0 | aluminium coordination entity | Lewis acid |
adenosine diphosphate ribose | [no description available] | medium | 1 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
okadaic acid | [no description available] | medium | 2 | 0 | ketal | |
thromboxane a2 | [no description available] | medium | 2 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
ziconotide | [no description available] | medium | 2 | 0 | | |
omega-agatoxin iva | [no description available] | medium | 2 | 0 | | |
snx 230 | [no description available] | medium | 1 | 0 | | |
glucagon-like peptide 1 (7-36) | [no description available] | medium | 2 | 0 | | |
chlorisondamine | [no description available] | medium | 4 | 0 | isoindoles | |
fenprostalene | [no description available] | medium | 3 | 1 | | |
ah 13205 | [no description available] | medium | 1 | 0 | | |
gyki 53655 | [no description available] | medium | 1 | 0 | | |
kyotorphin | [no description available] | medium | 1 | 0 | dipeptide | |
inositol 1,3,4-trisphosphate | [no description available] | medium | 2 | 0 | inositol phosphate oxoanion | human metabolite |
6-carboxyfluorescein | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
erythrosine | [no description available] | medium | 3 | 0 | | |
2,5-dimethylpyrazine | [no description available] | medium | 1 | 0 | pyrazines | |
phlorhizin | [no description available] | medium | 1 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
alnespirone | [no description available] | medium | 1 | 0 | | |
prostaglandin f2alpha 15-methyl ether | [no description available] | medium | 1 | 0 | | |
enclomiphene | [no description available] | medium | 7 | 0 | | |
dexamethasone 21-phosphate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17-hydroxy steroid; 3-oxo-Delta(4) steroid; fluorinated steroid; steroid phosphate; tertiary alpha-hydroxy ketone | glucocorticoid receptor agonist |
technetium | [no description available] | medium | 1 | 0 | manganese group element atom | |
rhenium | [no description available] | medium | 1 | 0 | manganese group element atom | |
pregnenolone sulfate | [no description available] | medium | 2 | 0 | steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite |
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 |
melarsen oxide | [no description available] | medium | 1 | 0 | | |
calyculin a | [no description available] | medium | 1 | 0 | | |
anthranilic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
norfluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
cholecalciferol | [no description available] | medium | 3 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
thiorphan | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
methacholine chloride | [no description available] | medium | 3 | 0 | quaternary ammonium salt | |
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | medium | 1 | 0 | alpha-amino acid; aromatic amino acid; beta-carboline alkaloid | human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite |
2-thienylalanine | [no description available] | medium | 1 | 0 | | |
ro13-9904 | [no description available] | medium | 1 | 0 | | |
4-methylhistamine | [no description available] | medium | 1 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
imetit | [no description available] | medium | 1 | 0 | imidazoles; imidothiocarbamic ester | H3-receptor agonist; H4-receptor agonist |
2-(2-aminoethyl)thiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles | |
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine | [no description available] | medium | 1 | 0 | | |
argipressin, beta-mercapto(beta,beta)-cyclopentamethylenepropionic acid(1)-ile(2,4)- | [no description available] | medium | 2 | 0 | | |
bw 443c | [no description available] | medium | 1 | 0 | | |
norgestomet | [no description available] | medium | 5 | 0 | | |
flunixin | [no description available] | medium | 1 | 0 | aminopyridine; organofluorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
tiletamine hydrochloride | [no description available] | medium | 1 | 0 | | |
biuret | [no description available] | medium | 1 | 0 | condensed ureas | |
alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
nocistatin | [no description available] | medium | 1 | 0 | | |
8-((4-chlorophenyl)thio)cyclic-3',5'-gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; aryl sulfide; organochlorine compound; ribonucleotide | protein kinase agonist |
peptide a | [no description available] | medium | 1 | 0 | | |
methacycline | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
s-nitro-n-acetylpenicillamine | [no description available] | medium | 2 | 0 | | |
instenon | [no description available] | medium | 1 | 0 | | |
hexobendine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
tropisetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
apraclonidine | [no description available] | medium | 1 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
8-bromoguanosino-3',5'-cyclic monophosphorothioate | [no description available] | medium | 1 | 0 | | |
prostaglandin d2 | [no description available] | medium | 3 | 0 | prostaglandins D | human metabolite; mouse metabolite |
argipressin, beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-o-methyl-tyr(2)-val(4)- | [no description available] | medium | 2 | 0 | | |
butaclamol | [no description available] | medium | 1 | 0 | | |
cyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
4-methylglutamic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; glutamic acid derivative | |
endomorphin 1 | [no description available] | medium | 1 | 0 | oligopeptide | |
luprostenol | [no description available] | medium | 2 | 1 | | |
mannose | [no description available] | medium | 2 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
atractylenolide i | [no description available] | medium | 1 | 0 | | |
sesquiterpenes | [no description available] | medium | 2 | 0 | | |
atractylenolide iii | [no description available] | medium | 1 | 0 | naphthofuran | metabolite |
methoxyflurane | [no description available] | medium | 1 | 0 | | |
digoxigenin | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol | hapten; plant metabolite |
enkephalin, pen(2,5)-4-chloro-phe(4)- | [no description available] | medium | 1 | 0 | | |
ammonium chloride | [no description available] | medium | 2 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
2-amino-4-phosphonobutyric acid | [no description available] | medium | 2 | 0 | | |
1-aminoindan-1,5-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
copper sulfate | [no description available] | medium | 3 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
cysteic acid | [no description available] | medium | 1 | 0 | alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid | animal metabolite |
o-phthalaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes; dialdehyde | epitope |
phalloidine | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
s-nitrosocysteine | [no description available] | medium | 1 | 0 | L-cysteine derivative; nitrosothio compound | hematologic agent; platelet aggregation inhibitor; vasodilator agent |
kaliotoxin | [no description available] | medium | 1 | 0 | | |
niflumic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
5-nitro-2-(3-phenylpropylamino)benzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid | |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 1 | 0 | | |
agmatine | [no description available] | medium | 1 | 0 | guanidines; primary amino compound | Escherichia coli metabolite; mouse metabolite |
o-methyltyrosine | [no description available] | medium | 1 | 0 | monomethoxybenzene; tyrosine derivative | |
6-aminomethyl-3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide | [no description available] | medium | 1 | 0 | | |
am 281 | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
venlafaxine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
gr 127935 | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine | |
cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
butaprost | [no description available] | medium | 1 | 0 | | |
vitamin k semiquinone radical | [no description available] | medium | 3 | 0 | | |
3,3'-diaminobenzidine | [no description available] | medium | 1 | 0 | biphenyls; substituted aniline | histological dye |
8-cyclopentyl-1,3-dimethylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
eicosapentaenoic acid | [no description available] | medium | 1 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
13,14-dihydroxy-15-ketoprostaglandin f2alpha | [no description available] | medium | 1 | 0 | | |
dithiothreitol | [no description available] | medium | 4 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
practolol | [no description available] | medium | 4 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
isoflurophate | [no description available] | medium | 2 | 0 | dialkyl phosphate | |
indium | [no description available] | medium | 1 | 0 | boron group element atom | |
morphinans | [no description available] | medium | 4 | 0 | isoquinoline alkaloid fundamental parent; morphinane alkaloid | |
valinomycin | [no description available] | medium | 1 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
dibenzylchlorethamine | [no description available] | medium | 9 | 0 | | |
lasalocid | [no description available] | medium | 3 | 0 | beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol | bacterial metabolite; coccidiostat; ionophore |
cyproterone | [no description available] | medium | 3 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
harmaline | [no description available] | medium | 2 | 0 | harmala alkaloid | oneirogen |
oxamic acid | [no description available] | medium | 2 | 0 | dicarboxylic acid monoamide | Escherichia coli metabolite |
metanephrine | [no description available] | medium | 1 | 0 | catecholamine | |
azetidyl-2-carboxylic acid | [no description available] | medium | 1 | 0 | azetidine-2-carboxylic acid | |
chlorotrianisene | [no description available] | medium | 1 | 0 | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
enflurane | [no description available] | medium | 3 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
cyclopentane | [no description available] | medium | 2 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
proxazole | [no description available] | medium | 1 | 0 | alkylbenzene | |
dimethyl suberimidate | [no description available] | medium | 1 | 0 | | |
dicyclohexylcarbodiimide | [no description available] | medium | 1 | 0 | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
veratrine | [no description available] | medium | 2 | 0 | alkaloid | |
veratridine | [no description available] | medium | 6 | 0 | | |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 2 | 0 | aromatic ether; secondary amino compound | metabolite |
copper gluconate | [no description available] | medium | 2 | 0 | organic molecular entity | |
mercaptoethanol | [no description available] | medium | 2 | 0 | alkanethiol; primary alcohol | geroprotector |
fibrinopeptide a | [no description available] | medium | 1 | 0 | | |
cyanogen bromide | [no description available] | medium | 2 | 0 | | |
silver nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt; silver salt | astringent |
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 |
orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
homoserine | [no description available] | medium | 1 | 0 | amino acid zwitterion; homoserine | algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
ceruletide | [no description available] | medium | 3 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
trichloroacetic acid | [no description available] | medium | 4 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
elastin | [no description available] | medium | 1 | 0 | oligopeptide | |
iodohippuric acid | [no description available] | medium | 1 | 0 | benzamides; N-acylglycine; organoiodine compound | |
strontium radioisotopes | [no description available] | medium | 2 | 0 | | |
tetranitromethane | [no description available] | medium | 2 | 0 | organonitrogen compound | |
raffinose | [no description available] | medium | 1 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
phosphocreatine | [no description available] | medium | 3 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
methallibure | [no description available] | medium | 2 | 0 | | |
saxitoxin | [no description available] | medium | 2 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |
ethylketocyclazocine | [no description available] | medium | 2 | 0 | | |
ketazocine | [no description available] | medium | 1 | 0 | | |
flunitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
adrenocorticotropic hormone | [no description available] | medium | 1 | 0 | | |
6-chloro-2-(1-piperazinyl)pyrazine | [no description available] | medium | 2 | 0 | N-arylpiperazine | |
l 365209 | [no description available] | medium | 4 | 0 | | |
sapropterin | [no description available] | medium | 3 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
10,11-methylenedioxy-n-propylnoraporphine | [no description available] | medium | 1 | 0 | | |
phosphoramidon | [no description available] | medium | 1 | 0 | deoxyaldohexose phosphate; dipeptide | bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
mr 2266 | [no description available] | medium | 5 | 0 | | |
amperozide | [no description available] | medium | 1 | 0 | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
4-amino-3-phenylbutyric acid | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
enkephalin, met(2)-pronh2(5)- | [no description available] | medium | 1 | 0 | | |
propyphenazone | [no description available] | medium | 1 | 0 | pyrazolone | non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
brefeldin a | [no description available] | medium | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
antioquine | [no description available] | medium | 2 | 0 | | |
phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
neosurugatoxin | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
enprostil | [no description available] | medium | 1 | 1 | | |
triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
tramadol | [no description available] | medium | 1 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
granular blue | [no description available] | medium | 1 | 0 | | |
fibrin | [no description available] | medium | 2 | 0 | peptide | |
bw a868c | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
dibenz(b,f)(1,4)oxazepine-10(11h)-carboxylic acid, 8-chloro-, 2-acetylhydrazide | [no description available] | medium | 2 | 0 | | |
jatrophone | [no description available] | medium | 1 | 0 | oxolanes | |
cholecystokinin 39 | [no description available] | medium | 1 | 0 | | |
phenidone | [no description available] | medium | 1 | 0 | | |
substance p, arg(1)-pro(2)-trp(7,9)-leu(11)- | [no description available] | medium | 1 | 0 | | |
iloprost | [no description available] | medium | 1 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
menotropins | [no description available] | medium | 3 | 0 | | |
stanolone benzoate | [no description available] | medium | 1 | 0 | 3-oxo-5alpha-steroid; steroid ester | |
3,3'-diallyldiethylstilbestrol | [no description available] | medium | 2 | 0 | | |
cularine | [no description available] | medium | 1 | 0 | alkaloid | |
s-(n-methylcarbamoyl)glutathione | [no description available] | medium | 1 | 0 | | |
methyl isocyanate | [no description available] | medium | 1 | 0 | isocyanates | allergen; apoptosis inducer |
1-methylxanthine | [no description available] | medium | 1 | 0 | 1-methylxanthine | mouse metabolite |
hydroxylamine | [no description available] | medium | 1 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
n-acetylimidazole | [no description available] | medium | 1 | 0 | N-acylimidazole | |
lead | [no description available] | medium | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
tiaprost | [no description available] | medium | 1 | 0 | prostanoid | |
mastoparan | [no description available] | medium | 1 | 0 | mastoparans; peptidyl amide | antimicrobial agent |
penfluridol | [no description available] | medium | 1 | 0 | diarylmethane | |
1,2-didecanoylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride; decanoate ester | |
phorbol-12,13-didecanoate | [no description available] | medium | 1 | 0 | | |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 2 | 0 | 1,2-diglyceride | |
ethylene dimethanesulfonate | [no description available] | medium | 3 | 0 | | |
4-chloromercuribenzenesulfonate | [no description available] | medium | 3 | 0 | arenesulfonic acid; arylmercury compound | |
pelanserin | [no description available] | medium | 1 | 0 | | |
aprofen | [no description available] | medium | 2 | 0 | | |
vasoactive intestinal peptide, 4-chloro-phe(6)-leu(17)- | [no description available] | medium | 3 | 0 | | |
sodium salicylate | [no description available] | medium | 1 | 0 | organic molecular entity | |
pantethine | [no description available] | medium | 1 | 0 | organic disulfide | coenzyme; nutraceutical |
pantetheine | [no description available] | medium | 1 | 0 | pantetheines; thiol | human metabolite; metabolite; mouse metabolite |
5-hydroxy-6,8,11,14-eicosatetraenoic acid | [no description available] | medium | 2 | 0 | HETE | human metabolite; mouse metabolite |
dihydrostreptomycin sulfate | [no description available] | medium | 1 | 0 | | |
3-methoxy-4-hydroxyphenylethanol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
phosphoribosyl pyrophosphate | [no description available] | medium | 1 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
ribose-5-phosphate | [no description available] | medium | 1 | 0 | D-ribose 5-phosphate | |
digitonin | [no description available] | medium | 1 | 0 | | |
fenamic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
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 |
quin2 | [no description available] | medium | 1 | 0 | | |
sodium sulfide | [no description available] | medium | 1 | 0 | | |
nafazatrom | [no description available] | medium | 1 | 0 | | |
sigetin, dipotassium salt | [no description available] | medium | 1 | 0 | | |
tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
l-glutamic acid-gamma-hydrazide | [no description available] | medium | 1 | 0 | | |
gastrin 17 | [no description available] | medium | 1 | 0 | gastrin | antineoplastic agent |
pirenzepine | [no description available] | medium | 1 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
trimethaphan | [no description available] | medium | 1 | 0 | sulfonium compound | anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent |
argipressin, beta-mercapto-beta,beta cyclopentamethylenepropionic acid(1)- | [no description available] | medium | 1 | 0 | | |
3-carene | [no description available] | medium | 1 | 0 | monoterpene | |
hydrin 1 | [no description available] | medium | 1 | 0 | | |
tubulazole | [no description available] | medium | 1 | 0 | ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate | |
nocodazole | [no description available] | medium | 2 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
fendiline | [no description available] | medium | 1 | 0 | diarylmethane | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | |
etorphine | [no description available] | medium | 2 | 0 | | |
1,2-dioctanoylglycerol | [no description available] | medium | 1 | 0 | | |
ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator; copper chelator |
harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
6-chloro-3,5-diaminopyrazine-3-carboxamide | [no description available] | medium | 1 | 0 | organochlorine compound; pyrazines | |
amifampridine | [no description available] | medium | 1 | 0 | aminopyridine | |
t-2 toxin | [no description available] | medium | 1 | 0 | | |
pentazocine | [no description available] | medium | 2 | 0 | benzazocine | |
cyclazocine | [no description available] | medium | 1 | 0 | | |
ici 154129 | [no description available] | medium | 1 | 0 | | |
altrenogest | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | |
vanadium | [no description available] | medium | 1 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
lactoferrin | [no description available] | medium | 1 | 0 | | |
n,n-diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine | [no description available] | medium | 1 | 0 | | |
sauvagine | [no description available] | medium | 1 | 0 | | |
inositol 1,4-bis(phosphate) | [no description available] | medium | 1 | 0 | | |
antimony sodium gluconate | [no description available] | medium | 1 | 0 | | |
cobaltous chloride | [no description available] | medium | 1 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
sebacic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
dodecanedioic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; human metabolite |
adipic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
bromphenol blue | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone | acid-base indicator; dye; two-colour indicator |
cicaprost | [no description available] | medium | 1 | 0 | monoterpenoid | |
u 44069 | [no description available] | medium | 1 | 0 | prostanoid | |
epostane | [no description available] | medium | 2 | 2 | | |
hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
nitroblue tetrazolium | [no description available] | medium | 1 | 0 | organic cation | |
formazans | [no description available] | medium | 1 | 0 | | |
dithionitrobenzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid; organic disulfide | indicator |
iodoacetamide | [no description available] | medium | 1 | 0 | | |
amanitins | [no description available] | medium | 1 | 0 | | |
7-nitrobenz-2-oxa-1,3-diazole-phallacidin | [no description available] | medium | 1 | 0 | | |
meteneprost | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
arbaprostil | [no description available] | medium | 1 | 0 | prostanoid | |
16,16-dimethylprostaglandin e2 | [no description available] | medium | 1 | 0 | cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol | anti-ulcer drug; gastrointestinal drug; radiation protective agent |
d-ala(2),mephe(4),met(0)-ol-enkephalin | [no description available] | medium | 1 | 0 | | |
triacetin | [no description available] | medium | 2 | 2 | triglyceride | adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent |
sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
propanidid | [no description available] | medium | 6 | 1 | methoxybenzenes | |
aminolevulinic acid | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
gamma-endorphin, des-tyr(1)- | [no description available] | medium | 1 | 0 | | |
luminol | [no description available] | medium | 1 | 0 | | |
6-(n-(4-aminobutyl)-n-ethyl)amino-2,3-dihydrophthalazine-1,4-dione | [no description available] | medium | 1 | 0 | phthalazines | |
cv 3988 | [no description available] | medium | 2 | 0 | | |
fpl 55712 | [no description available] | medium | 2 | 0 | aromatic ketone | |
beta-endorphin (2-9) | [no description available] | medium | 1 | 0 | | |
florisil | [no description available] | medium | 1 | 0 | | |
5-hydroxydopamine | [no description available] | medium | 1 | 0 | catecholamine | |
osmium tetroxide | [no description available] | medium | 1 | 0 | osmium coordination entity | fixative; histological dye; oxidising agent; poison |
estetrol | [no description available] | medium | 1 | 0 | 15alpha-hydroxy steroid; 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid; steroid hormone | estrogen receptor agonist; estrogen; human metabolite; human xenobiotic metabolite; oral contraceptive |
2-mercaptoacetate | [no description available] | medium | 1 | 0 | monocarboxylic acid anion | |
5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
broadcillin | [no description available] | medium | 1 | 0 | | |
acetaldehyde | [no description available] | medium | 1 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
2-thiomalic acid | [no description available] | medium | 1 | 0 | C4-dicarboxylic acid | |
chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
selenomethionine | [no description available] | medium | 1 | 0 | selenoamino acid; selenomethionines | plant metabolite |
osmium | [no description available] | medium | 3 | 0 | iron group element atom; platinum group metal atom | |
beryllium | [no description available] | medium | 1 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
potassium iodide | [no description available] | medium | 1 | 0 | potassium salt | expectorant; radical scavenger |
17-ketosteroids | [no description available] | medium | 5 | 0 | | |
thiamine pyrophosphate | [no description available] | medium | 1 | 0 | organic chloride salt; vitamin B1 | |
phosphoenolpyruvate | [no description available] | medium | 1 | 0 | carboxyalkyl phosphate; monocarboxylic acid | fundamental metabolite |
krypton | [no description available] | medium | 1 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
ammonium sulfate | [no description available] | medium | 1 | 0 | ammonium salt; inorganic sulfate salt | fertilizer |
s-adenosylmethionine | [no description available] | medium | 1 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
phloretin | [no description available] | medium | 1 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
adenosine monophosphate | [no description available] | medium | 2 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
dichlorvos | [no description available] | medium | 1 | 0 | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
pyrogallol | [no description available] | medium | 1 | 0 | benzenetriol; phenolic donor | plant metabolite |
prenylamine | [no description available] | medium | 3 | 0 | diarylmethane | |
ethisterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | drug metabolite; progestin |
mercury | [no description available] | medium | 1 | 0 | elemental mercury; zinc group element atom | neurotoxin |
melengestrol acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
antimycin a | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
2-naphthol | [no description available] | medium | 2 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
alpha,alpha'-diaminosuberic acid | [no description available] | medium | 1 | 0 | | |
dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
benperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
pheniramine | [no description available] | medium | 1 | 0 | pyridines; tertiary amino compound | |
nalorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
protoverin | [no description available] | medium | 1 | 0 | | |
sulfobromophthalein | [no description available] | medium | 1 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
tin | [no description available] | medium | 1 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
valerates | [no description available] | medium | 1 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
lanatosides | [no description available] | medium | 1 | 0 | | |
ethionine | [no description available] | medium | 1 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
chondroitin | [no description available] | medium | 1 | 0 | | |
s,n,n'-tripropylthiocarbamate | [no description available] | medium | 122 | 26 | tertiary amine | |
glyphosate | [no description available] | medium | 1 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
tribulus | [no description available] | medium | 2 | 0 | | |
eye | [no description available] | medium | 11 | 3 | | |
nsc 4347 | [no description available] | medium | 1 | 0 | | |
isomethyleugenol | [no description available] | medium | 9 | 0 | isomethyleugenol | |
exudates | [no description available] | medium | 1 | 0 | | |
phenylephrine hydrochloride | [no description available] | medium | 14 | 0 | hydrochloride | |
fomesafen | [no description available] | medium | 153 | 2 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
clove | [no description available] | medium | 2 | 0 | | |
nociceptin | [no description available] | medium | 9 | 0 | organic molecular entity; polypeptide | human metabolite; rat metabolite |
trolamine salicylate | [no description available] | medium | 3 | 0 | | |
curcumin | [no description available] | medium | 2 | 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 |
ants | [no description available] | medium | 4 | 0 | | |
hypericum | [no description available] | medium | 1 | 0 | penicillanic acids | |
iodinated glycerol | [no description available] | medium | 2 | 0 | dioxolane | |
humulene | [no description available] | medium | 3 | 1 | alpha-humulene | |
4-methoxyamphetamine | [no description available] | medium | 1 | 0 | | |
cetylpyridinium chloride anhydrous | [no description available] | medium | 8 | 0 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
sodium ethylxanthate | [no description available] | medium | 6 | 0 | | |
bassianolide | [no description available] | medium | 2 | 0 | cyclodepsipeptide; cyclooctadepsipeptide | antineoplastic agent; fungal metabolite; insecticide |
freedom | [no description available] | medium | 1 | 0 | | |
sabinene | [no description available] | medium | 1 | 0 | thujene | plant metabolite |
diospyros | [no description available] | medium | 1 | 0 | | |
radium | [no description available] | medium | 6 | 0 | alkaline earth metal atom | |
torpedo | [no description available] | medium | 1 | 0 | | |
rome | [no description available] | medium | 1 | 0 | 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol | EC 2.7.1.91 (sphingosine kinase) inhibitor |
fusarium | [no description available] | medium | 1 | 0 | | |
apnea | [no description available] | medium | 2 | 0 | purine nucleoside | |
egg white | [no description available] | medium | 1 | 0 | | |
ergonovine maleate | [no description available] | low | 0 | 0 | maleate salt | diagnostic agent; oxytocic |
4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
methacholine | [no description available] | low | 0 | 0 | acetate ester; quaternary ammonium ion | bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent |
betahistine | [no description available] | low | 0 | 0 | aminoalkylpyridine; secondary amino compound | H1-receptor agonist; vasodilator agent |
cyclandelate | [no description available] | low | 0 | 0 | carboxylic ester; secondary alcohol | vasodilator agent |
dilazep | [no description available] | low | 0 | 0 | benzoate ester; diazepane; diester; methoxybenzenes | cardioprotective agent; platelet aggregation inhibitor; vasodilator agent |
fasudil | [no description available] | low | 0 | 0 | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
khellin | [no description available] | low | 0 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
pimobendan | [no description available] | low | 0 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
theobromine | [no description available] | low | 0 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | low | 0 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
pentaerythritol tetranitrate | [no description available] | low | 0 | 0 | pentaerythritol nitrate | explosive; vasodilator agent |
visnagin | [no description available] | low | 0 | 0 | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
nicotinic acid benzyl ester | [no description available] | low | 0 | 0 | benzyl ester | vasodilator agent |
nicotinyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol; pyridines | antilipemic drug; vasodilator agent |
isoamyl nitrite | [no description available] | low | 0 | 0 | nitrite esters | antihypertensive agent; vasodilator agent |
hydralazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; vasodilator agent |
bucladesine | [no description available] | low | 0 | 0 | 3',5'-cyclic purine nucleotide; butanamides; butyrate ester | agonist; cardiotonic drug; vasodilator agent |
pentamethonium | [no description available] | low | 0 | 0 | quaternary ammonium ion | antihypertensive agent; vasodilator agent |
vincamine | [no description available] | low | 0 | 0 | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
diallyl trisulfide | [no description available] | low | 0 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
nicorandil | [no description available] | low | 0 | 0 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
dotarizine | [no description available] | low | 0 | 0 | cyclic ketal; dioxolane; N-alkylpiperazine | calcium channel blocker; serotonergic antagonist; vasodilator agent |
amlodipine besylate | [no description available] | low | 0 | 0 | organosulfonate salt | antihypertensive agent; calcium channel blocker; vasodilator agent |
diltiazem hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
d 888 | [no description available] | low | 0 | 0 | aromatic ether; nitrile; tertiary amino compound | anti-arrhythmia drug; calcium channel blocker; vasodilator agent |
pinocembrin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
spathulenol | [no description available] | low | 0 | 0 | carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol | anaesthetic; plant metabolite; vasodilator agent; volatile oil component |
zofenopril | [no description available] | low | 0 | 0 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester | anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent |
eupatorin | [no description available] | low | 0 | 0 | dihydroxyflavone; polyphenol; trimethoxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent |
dihydroergocristine | [no description available] | low | 0 | 0 | ergot alkaloid | adrenergic antagonist; vasodilator agent |
quinaprilat | [no description available] | low | 0 | 0 | dicarboxylic acid; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
nitroflurbiprofen | [no description available] | low | 0 | 0 | biphenyls; carboxylic ester; nitrate ester; organofluorine compound | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent |
cgp 42112a | [no description available] | low | 0 | 0 | benzyl ester; oligopeptide; pyridinecarboxamide | angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent |
fasudil hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent |
convallatoxin | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone | metabolite; vasodilator agent |
raubasine | [no description available] | low | 0 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
colforsin daropate | [no description available] | low | 0 | 0 | acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound | adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent |
dihydroergocristine monomesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
cinnamaldehyde | [no description available] | low | 0 | 0 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine | [no description available] | low | 0 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
or 1259 | [no description available] | low | 0 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
zofenoprilate | [no description available] | low | 0 | 0 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol | anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
lysine clonixinate | [no description available] | low | 0 | 0 | organoammonium salt | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent |
petasin | [no description available] | low | 0 | 0 | alicyclic ketone; enoate ester; enone; sesquiterpenoid | anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent |
diosmetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent |
sphingosine 1-phosphate | [no description available] | low | 0 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
erythrityl tetranitrate | [no description available] | low | 0 | 0 | nitrate ester | explosive; vasodilator agent |
methyl brevifolincarboxylate | [no description available] | low | 0 | 0 | cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols | EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent |
molsidomine | [no description available] | low | 0 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
ro 42-5892 | [no description available] | low | 0 | 0 | cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone | antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent |
beraprost | [no description available] | low | 0 | 0 | enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
u 62840 | [no description available] | low | 0 | 0 | carbotricyclic compound; carboxylic acid | antihypertensive agent; cardiovascular drug; human blood serum metabolite; platelet aggregation inhibitor; vasodilator agent; vitamin K antagonist |
jwh-133 | [no description available] | low | 0 | 0 | benzochromene; dibenzopyran; organic heterotricyclic compound | analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent |
triacsin c | [no description available] | low | 0 | 0 | hydrazone; nitroso compound; olefinic compound | antimalarial; apoptosis inhibitor; bacterial metabolite; EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; vasodilator agent |
bay 58-2667 | [no description available] | low | 0 | 0 | aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound | antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
avanafil | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound; prolinols; pyrimidines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
selexipag | [no description available] | low | 0 | 0 | aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound | orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent |
mre 269 | [no description available] | low | 0 | 0 | aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound | drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent |
n-arachidonoyl l-serine | [no description available] | low | 0 | 0 | N-(fatty acyl)-L-alpha-amino acid | cannabinoid receptor agonist; mammalian metabolite; neuroprotective agent; pro-angiogenic agent; vasodilator agent |
bay 60-4552 | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine | antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent |
beraprost sodium | [no description available] | low | 0 | 0 | organic sodium salt | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
vericiguat | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine | antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
praliciguat | [no description available] | low | 0 | 0 | aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol | anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
mirodenafil | [no description available] | low | 0 | 0 | aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
bradykinin, hydroxy-pro(3)- | [no description available] | low | 0 | 0 | oligopeptide; peptide hormone | bradykinin receptor agonist; human urinary metabolite |
gonadotropin-releasing hormone | [no description available] | low | 0 | 0 | oligopeptide; peptide hormone | gonadotropin releasing hormone agonist |
pasireotide | [no description available] | low | 0 | 0 | homodetic cyclic peptide; peptide hormone | antineoplastic agent |
alpha-msh | [no description available] | low | 0 | 0 | peptide hormone | anti-inflammatory agent |
prosomatostatin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; peptide hormone | fungal metabolite; mouse metabolite; rat metabolite |
chloroorienticin b | [no description available] | low | 0 | 0 | cyclic ether; glycopeptide; heterodetic cyclic peptide; monosaccharide derivative; organochlorine compound; polyphenol | antimicrobial agent; bacterial metabolite |
aglucovancomycin b | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol | metabolite |
ustiloxin b | [no description available] | low | 0 | 0 | aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide | Aspergillus metabolite; microtubule-destabilising agent; mycotoxin |
ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide | antineoplastic agent; bacterial metabolite |
complestatin | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol | anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite |
neuroprotectin a | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol | HIV-1 integrase inhibitor; metabolite |
thiazomycin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide | antibacterial agent; antimicrobial agent; bacterial metabolite |
ristocetin | [no description available] | low | 0 | 0 | glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative | antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist |
duramycin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; macrocycle | antimicrobial agent; apoptosis inducer; bacterial metabolite |
cigb-300 | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; polypeptide | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
lanthiopeptin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; L-cysteine thioether; macrocycle; type B lantibiotic | |
viomycin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; peptide antibiotic | antitubercular agent |