Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
phorbols | [no description available] | medium | 6 | 0 | diterpene; terpenoid fundamental parent | |
palmitic acid | [no description available] | medium | 12 | 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 |
oleic acid | [no description available] | medium | 11 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 14 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
natriuretic peptide, c-type | [no description available] | medium | 1 | 0 | | |
inositol-1,3,4,5-tetrakisphosphate | [no description available] | medium | 1 | 0 | inositol phosphate | |
triacetin | [no description available] | medium | 1 | 0 | triglyceride | adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent |
gamma-sitosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
cytellin | [no description available] | medium | 2 | 1 | | |
tristearin | [no description available] | medium | 2 | 0 | triacylglycerol 54:0 | Caenorhabditis elegans metabolite; plant metabolite |
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 |
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 |
1-palmitoyl-2-oleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | | |
phosphatidylcholines | [no description available] | medium | 77 | 1 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
leupeptins | [no description available] | medium | 1 | 0 | | |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 1 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
acetyl coenzyme a | [no description available] | medium | 1 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
alpha-linolenic acid | [no description available] | medium | 11 | 5 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
tocopherols | [no description available] | medium | 1 | 0 | | |
d-alpha tocopherol | [no description available] | medium | 4 | 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 |
plastochromanol 8 | [no description available] | medium | 1 | 0 | | |
tocotrienols | [no description available] | medium | 1 | 0 | diterpenoid | |
glutamic acid | [no description available] | medium | 3 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
ucn 1028 c | [no description available] | medium | 4 | 0 | | |
glycolipids | [no description available] | medium | 21 | 0 | | |
glycerol 1-stearate | [no description available] | medium | 1 | 0 | 1-acylglycerol 18:0; rac-1-monoacylglycerol | algal metabolite; Caenorhabditis elegans metabolite |
lithium | [no description available] | medium | 8 | 0 | alkali metal atom | |
valproic acid | [no description available] | medium | 2 | 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 |
ethyl cellulose | [no description available] | medium | 1 | 0 | glycoside | |
cellulose | [no description available] | medium | 1 | 0 | glycoside | |
2,4,6-trimethyl-n-(meta-3-trifluoromethylphenyl)benzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 11 | 0 | nucleoside triphosphate analogue | |
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 |
lysophosphatidic acid | [no description available] | medium | 3 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
metformin | [no description available] | medium | 1 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
inositol 1,4,5-trisphosphate | [no description available] | medium | 78 | 0 | myo-inositol trisphosphate | mouse metabolite |
sodefrin | [no description available] | medium | 1 | 0 | | |
epidermal growth factor | [no description available] | medium | 15 | 0 | | |
vanadates | [no description available] | medium | 2 | 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 |
pervanadate | [no description available] | medium | 1 | 0 | | |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 41 | 0 | | |
muramidase | [no description available] | medium | 1 | 0 | | |
1-butanol | [no description available] | medium | 6 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
scutellarin | [no description available] | medium | 1 | 0 | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
thromboxane a2 | [no description available] | medium | 3 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
thapsigargin | [no description available] | medium | 2 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
ciprofloxacin | [no description available] | medium | 1 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
arginine | [no description available] | medium | 3 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
r 59949 | [no description available] | medium | 4 | 0 | diarylmethane | |
piperidines | [no description available] | medium | 4 | 0 | | |
sphingosine | [no description available] | medium | 10 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
sphingosine 1-phosphate | [no description available] | medium | 3 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
niacinamide | [no description available] | medium | 1 | 1 | 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 |
oxalic acid | [no description available] | medium | 1 | 1 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
caseins | [no description available] | medium | 3 | 0 | | |
g(m1) ganglioside | [no description available] | medium | 1 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide | |
interleukin-8 | [no description available] | medium | 1 | 0 | | |
cdp ethanolamine | [no description available] | medium | 2 | 0 | nucleotide-(amino alcohol)s; phosphoethanolamine | mouse metabolite |
cytidine diphosphate | [no description available] | medium | 2 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite |
phosphorylethanolamine | [no description available] | medium | 2 | 0 | phosphoethanolamine; primary amino compound | algal metabolite; human metabolite; mouse metabolite |
choline | [no description available] | medium | 20 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
aluminum | [no description available] | medium | 3 | 0 | boron group element atom; elemental aluminium; metal atom | |
benzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | [no description available] | medium | 1 | 0 | BODIPY compound | |
alanylphosphatidylglycerol | [no description available] | medium | 1 | 0 | | |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
thyroxine | [no description available] | medium | 2 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
guanosine triphosphate | [no description available] | medium | 9 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
guanosine diphosphate | [no description available] | medium | 2 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
glyceryl 2-arachidonate | [no description available] | medium | 1 | 0 | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
phenyl acetate | [no description available] | medium | 2 | 0 | benzenes; phenyl acetates | |
carbachol | [no description available] | medium | 15 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
octadecane | [no description available] | medium | 1 | 0 | long-chain alkane | bacterial metabolite; plant metabolite |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
tretinoin | [no description available] | medium | 1 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
arachidonic acid | [no description available] | medium | 39 | 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 |
alpha-glycerophosphoric acid | [no description available] | medium | 2 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
cyclopropane | [no description available] | medium | 1 | 0 | cycloalkane; cyclopropanes | inhalation anaesthetic |
catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant; plant metabolite |
lipoamide | [no description available] | medium | 1 | 0 | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
sinapinic acid | [no description available] | medium | 1 | 0 | sinapic acid | MALDI matrix material; plant metabolite |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
caprylates | [no description available] | medium | 1 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
phorbol-12-myristate | [no description available] | medium | 1 | 0 | | |
prostratin | [no description available] | medium | 1 | 0 | | |
bryostatin 1 | [no description available] | medium | 3 | 0 | | |
tyrosine | [no description available] | medium | 3 | 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 |
threonine | [no description available] | medium | 1 | 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 |
1,2-dioctanoylglycerol | [no description available] | medium | 8 | 0 | | |
capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 9 | 0 | 1,2-diglyceride | |
lactic acid | [no description available] | medium | 3 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
acetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 3 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
cyclosporine | [no description available] | medium | 1 | 0 | | |
sodium fluoride | [no description available] | medium | 6 | 0 | fluoride salt | mutagen |
okadaic acid | [no description available] | medium | 5 | 0 | ketal | |
genistein | [no description available] | medium | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
r 59022 | [no description available] | medium | 8 | 0 | diarylmethane | |
1-stearoyl-2-arachidonoylglycerol | [no description available] | medium | 2 | 0 | 1,2-diglyceride | |
thiazoles | [no description available] | medium | 8 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
pyrimidinones | [no description available] | medium | 8 | 0 | | |
adenosine diphosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
ceramide 1-phosphate | [no description available] | medium | 1 | 0 | N-acylsphingosine 1-phosphate | |
1,6-bis(cyclohexyloximinocarbonyl)hexane | [no description available] | medium | 4 | 0 | carbamate ester; organonitrogen compound | |
tiletamine hydrochloride | [no description available] | medium | 4 | 0 | | |
thymidine monophosphate | [no description available] | medium | 1 | 0 | thymidine 5'-monophosphate | fundamental metabolite |
dipalmitoylphosphatidic acid | [no description available] | medium | 1 | 0 | phosphatidic acid | |
1,2-dipalmitoylphosphatidylglycerol | [no description available] | medium | 1 | 0 | phosphatidylglycerol | |
oltipraz | [no description available] | medium | 1 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
1,2-dithiol-3-thione | [no description available] | medium | 1 | 0 | 1,2-dithiole | |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
pyrazines | [no description available] | medium | 2 | 0 | diazine; pyrazines | Daphnia magna metabolite |
2,2-dimethyl-5-hydroxy-1-pyrrolidinyloxy | [no description available] | medium | 1 | 0 | | |
phytosterols | [no description available] | medium | 2 | 1 | | |
bisphenol a | [no description available] | medium | 1 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
diethylstilbestrol | [no description available] | medium | 1 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
ethylmaleimide | [no description available] | medium | 2 | 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 |
carnitine | [no description available] | medium | 6 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
s-adenosylmethionine | [no description available] | medium | 1 | 0 | sulfonium betaine | human metabolite |
porphobilinogen | [no description available] | medium | 1 | 0 | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite |
corticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
ro 31-8220 | [no description available] | medium | 6 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
u 73122 | [no description available] | medium | 6 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
u 73343 | [no description available] | medium | 2 | 0 | | |
1,2-oleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | phosphatidylcholine(1+) | |
tetradecanoylphorbol acetate | [no description available] | medium | 65 | 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 |
probucol | [no description available] | medium | 1 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
ethanolamine | [no description available] | medium | 4 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
taurine | [no description available] | medium | 1 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
trehalose | [no description available] | medium | 1 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
arginine vasopressin | [no description available] | medium | 5 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
glycidol | [no description available] | medium | 1 | 0 | epoxide; primary alcohol | |
valine | [no description available] | medium | 1 | 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 |
n-(2,3-dihydroxypropyl)valine | [no description available] | medium | 1 | 0 | | |
carbocysteine | [no description available] | medium | 1 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 16 | 0 | tripeptide | |
chelerythrine | [no description available] | medium | 3 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
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 |
linoleic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
acetone | [no description available] | medium | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
1,3-dioctadecanoylglycerol | [no description available] | medium | 1 | 0 | | |
ha 1004 | [no description available] | medium | 1 | 0 | isoquinolines | |
bucladesine | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 7 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
uridine diphosphate galactose | [no description available] | medium | 2 | 0 | UDP-D-galactose | mouse metabolite |
1,6-bismaleimidohexane | [no description available] | medium | 1 | 0 | | |
digalactosyldiacylglycerol | [no description available] | medium | 1 | 0 | | |
urea | [no description available] | medium | 1 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
sulfoquinovosyl diglyceride | [no description available] | medium | 1 | 0 | | |
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 |
3-methylcholanthrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
coenzyme a | [no description available] | medium | 2 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
transforming growth factor alpha | [no description available] | medium | 1 | 0 | | |
ryanodine | [no description available] | medium | 1 | 0 | | |
aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
isoproterenol | [no description available] | medium | 4 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
caffeine | [no description available] | medium | 1 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
d 609 | [no description available] | medium | 5 | 0 | | |
safingol | [no description available] | medium | 1 | 0 | amino alcohol | |
n-oleoylethanolamine | [no description available] | medium | 1 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
phosphorylcholine | [no description available] | medium | 7 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
sphingosine kinase | [no description available] | medium | 1 | 0 | | |
cytidine triphosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
1,2-dimethylhydrazine | [no description available] | medium | 3 | 0 | hydrazines | alkylating agent; carcinogenic agent |
dinoprostone | [no description available] | medium | 6 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
thromboxane b2 | [no description available] | medium | 2 | 0 | thromboxanes B | human metabolite; mouse metabolite |
thymidine | [no description available] | medium | 4 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
dinoprost | [no description available] | medium | 8 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
wortmannin | [no description available] | medium | 1 | 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 |
angiotensin ii | [no description available] | medium | 13 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
phosphatidylinositol 4-phosphate | [no description available] | medium | 7 | 0 | | |
pituitrin | [no description available] | medium | 12 | 0 | | |
ergosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
dehydroergosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | biomarker; metabolite |
pd 98059 | [no description available] | medium | 1 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
lignans | [no description available] | medium | 1 | 0 | | |
honokiol | [no description available] | medium | 1 | 0 | biphenyls | |
kn 93 | [no description available] | medium | 1 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
phorbol 12,13-dibutyrate | [no description available] | medium | 13 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
1,2-dihexanoylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
1-stearoyl-2-linoleoyl-sn-glycerol | [no description available] | medium | 2 | 0 | 1,2-diacyl-sn-glycerol; diacylglycerol 36:2 | mouse metabolite |
cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
sincalide | [no description available] | medium | 2 | 0 | oligopeptide | |
proglumide | [no description available] | medium | 1 | 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 | 1 | 0 | benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative | |
cr 2945 | [no description available] | medium | 1 | 0 | | |
barium | [no description available] | medium | 1 | 0 | alkaline earth metal atom; elemental barium | |
methacholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
fenofibrate | [no description available] | medium | 2 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
pyrroles | [no description available] | medium | 2 | 0 | pyrrole; secondary amine | |
rottlerin | [no description available] | medium | 1 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
phosphothreonine | [no description available] | medium | 1 | 0 | L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid | Escherichia coli metabolite |
ro 32-0432 | [no description available] | medium | 1 | 0 | | |
morphine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
4-nitroquinoline-1-oxide | [no description available] | medium | 1 | 0 | C-nitro compound; quinoline N-oxide | carcinogenic agent |
phosphotyrosine | [no description available] | medium | 2 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
trypan blue | [no description available] | medium | 1 | 0 | | |
cytochrome c-t | [no description available] | medium | 1 | 0 | | |
glycine | [no description available] | medium | 1 | 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 |
inositol 1-phosphate | [no description available] | medium | 3 | 0 | | |
inositol | [no description available] | medium | 13 | 0 | cyclitol; hexol | |
ginsenosides | [no description available] | medium | 2 | 0 | | |
substance p | [no description available] | medium | 3 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
phenylephrine | [no description available] | medium | 6 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
aspirin | [no description available] | medium | 1 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
calcimycin | [no description available] | medium | 17 | 0 | benzoxazole | |
palmitoyl coenzyme a | [no description available] | medium | 1 | 0 | 11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate | Escherichia coli metabolite; mouse metabolite |
lysophosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
lysophosphatidylcholines | [no description available] | medium | 1 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
sodium taurodeoxycholate | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | human metabolite |
boc-tyr(s03)-nle-gly-trp-nle-asp-2-phenylethyl ester | [no description available] | medium | 1 | 0 | | |
ceruletide | [no description available] | medium | 1 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
ag-213 | [no description available] | medium | 1 | 0 | | |
triiodothyronine | [no description available] | medium | 1 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
cycloheximide | [no description available] | medium | 4 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
diethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
st 638 | [no description available] | medium | 1 | 0 | | |
framycetin | [no description available] | medium | 4 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 2 | 0 | aromatic ether; secondary amino compound | metabolite |
azomethane | [no description available] | medium | 1 | 0 | | |
staurosporine | [no description available] | medium | 18 | 0 | ammonium ion derivative | |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
cytochalasin b | [no description available] | medium | 3 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
herbimycin | [no description available] | medium | 2 | 0 | 1,4-benzoquinones; lactam; macrocycle | antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor |
fluorides | [no description available] | medium | 2 | 0 | halide anion; monoatomic fluorine | |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
concanavalin a | [no description available] | medium | 2 | 0 | | |
bradykinin | [no description available] | medium | 7 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
sq-23377 | [no description available] | medium | 6 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acylcarnitine | human metabolite |
sorbitol | [no description available] | medium | 1 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
phosphatidylethanol | [no description available] | medium | 8 | 0 | | |
halothane | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
debromoaplysiatoxin | [no description available] | medium | 1 | 0 | aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
propranolol | [no description available] | medium | 9 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
arginyl-glycyl-aspartic acid | [no description available] | medium | 1 | 0 | oligopeptide | |
myristic acid | [no description available] | medium | 5 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
cyclic gmp | [no description available] | medium | 4 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
ouabain | [no description available] | medium | 2 | 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 |
phosphorus radioisotopes | [no description available] | medium | 2 | 0 | | |
indomethacin | [no description available] | medium | 3 | 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 |
inositol 1,4-bis(phosphate) | [no description available] | medium | 2 | 0 | | |
arecoline | [no description available] | medium | 1 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
1-(carboxymethylthio)tetradecane | [no description available] | medium | 1 | 0 | straight-chain fatty acid | |
1,10-bis(carboxymethylthiodecane) | [no description available] | medium | 1 | 0 | | |
activins | [no description available] | medium | 1 | 0 | | |
potassium chloride | [no description available] | medium | 2 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
fura-2 | [no description available] | medium | 1 | 0 | | |
aflatoxin b1 | [no description available] | medium | 1 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
dieldrin | [no description available] | medium | 1 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
inositol 4,5-bisphosphate | [no description available] | medium | 1 | 0 | myo-inositol bisphosphate | |
chlorpromazine | [no description available] | medium | 3 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
technetium tc 99m pentetate | [no description available] | medium | 1 | 0 | | |
omega-(4-iodophenyl)pentadecanoic acid | [no description available] | medium | 1 | 0 | | |
s6c sarafotoxin | [no description available] | medium | 2 | 0 | | |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 9 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
cromakalim | [no description available] | medium | 1 | 0 | | |
aldosterone | [no description available] | medium | 5 | 0 | 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 |
guanosine 5'-o-(2-thiodiphosphate) | [no description available] | medium | 1 | 0 | nucleoside diphosphate analogue | |
oxotremorine m | [no description available] | medium | 1 | 0 | quaternary ammonium ion | muscarinic agonist |
oxotremorine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine | |
phosphatidylbutanol | [no description available] | medium | 4 | 0 | | |
n-methylaspartate | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
dizocilpine maleate | [no description available] | medium | 1 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
homocysteine | [no description available] | medium | 1 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
selfotel | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
homocysteic acid | [no description available] | medium | 1 | 0 | homocysteic acid | NMDA receptor agonist |
2-methyl-6-(4-methoxyphenyl)-3,7-dihydroimidazo(1,2-alpha)pyrazin-3-one | [no description available] | medium | 1 | 0 | | |
vasoactive intestinal peptide | [no description available] | medium | 2 | 0 | | |
n-caproylsphingosine | [no description available] | medium | 2 | 0 | N-acylsphingosine | |
n-acetylsphingosine | [no description available] | medium | 2 | 0 | N-acylsphingosine | |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 1 | 0 | | |
fibrinogen | [no description available] | medium | 1 | 0 | iditol | fungal metabolite |
endothelin-1 | [no description available] | medium | 2 | 0 | | |
verapamil | [no description available] | medium | 3 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
bq 123 | [no description available] | medium | 1 | 0 | cyclic peptide | |
luminol | [no description available] | medium | 1 | 0 | | |
diphenyleneiodonium | [no description available] | medium | 1 | 0 | organic cation | |
beta-escin | [no description available] | medium | 1 | 0 | | |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
diarachidonyl diglyceride | [no description available] | medium | 4 | 0 | | |
prazosin | [no description available] | medium | 3 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
desipramine | [no description available] | medium | 2 | 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 |
quinazolines | [no description available] | medium | 2 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
ovalbumin | [no description available] | medium | 1 | 0 | | |
magnesium sulfate | [no description available] | medium | 1 | 0 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
midostaurin | [no description available] | medium | 1 | 0 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
oxytocin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
bay-k-8644 | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
sapintoxin d | [no description available] | medium | 1 | 0 | phorbol ester; tertiary alpha-hydroxy ketone | fluorescent probe; metabolite |
opc 12759 | [no description available] | medium | 1 | 0 | secondary carboxamide | |
alanine | [no description available] | medium | 1 | 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 |
leukotriene d4 | [no description available] | medium | 1 | 0 | dipeptide; leukotriene; organic sulfide | bronchoconstrictor agent; human metabolite; mouse metabolite |
carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
orotic acid | [no description available] | medium | 2 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
betadex | [no description available] | medium | 1 | 0 | cyclodextrin | |
nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
go 6976 | [no description available] | medium | 1 | 0 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
inositol 1,3,4-trisphosphate | [no description available] | medium | 1 | 0 | inositol phosphate oxoanion | human metabolite |
quinacrine | [no description available] | medium | 2 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
ridogrel | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
lithium chloride | [no description available] | medium | 2 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
egtazic acid | [no description available] | medium | 7 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
chlorine | [no description available] | medium | 2 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
phenylglyoxal | [no description available] | medium | 1 | 0 | phenylacetaldehydes | |
manganese | [no description available] | medium | 2 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
thromboxanes | [no description available] | medium | 1 | 0 | | |
fructose-1,6-diphosphate | [no description available] | medium | 1 | 0 | | |
lipid a | [no description available] | medium | 1 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
nigericin | [no description available] | medium | 1 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
amiloride | [no description available] | medium | 1 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
ethylisopropylamiloride | [no description available] | medium | 1 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
lanthanum | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
w 7 | [no description available] | medium | 1 | 0 | | |
lanthanum chloride | [no description available] | medium | 1 | 0 | | |
sulfolipid i | [no description available] | medium | 1 | 0 | polyacyl alpha,alpha-trehalose derivative; sulfoglycolipid | |
phenidone | [no description available] | medium | 1 | 0 | | |
masoprocol | [no description available] | medium | 1 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
arginylphenylalaninamide | [no description available] | medium | 1 | 0 | | |
dimethylhydrazines | [no description available] | medium | 2 | 0 | | |
2,6-dichloro-4-nitrophenol | [no description available] | medium | 1 | 0 | | |
hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
nitrophenols | [no description available] | medium | 1 | 0 | | |
1-monooleoyl-rac-glycerol | [no description available] | medium | 2 | 0 | 1-acylglycerol 18:1; monooleoylglycerol | plant metabolite |
hirudin | [no description available] | medium | 1 | 0 | | |
hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
atropine | [no description available] | medium | 2 | 0 | | |
calpain | [no description available] | medium | 2 | 0 | | |
nickel | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
inositol cyclic phosphate | [no description available] | medium | 1 | 0 | myo-inositol cyclic phosphate | epitope |
deoxyglucose | [no description available] | medium | 1 | 0 | | |
dimyristoylphosphatidylcholine | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
heparitin sulfate | [no description available] | medium | 1 | 0 | | |
arsenic | [no description available] | medium | 1 | 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 |
5'-methylthioadenosine | [no description available] | medium | 1 | 0 | thioadenosine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
adenosine | [no description available] | medium | 1 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
alpha-chymotrypsin | [no description available] | medium | 1 | 0 | | |
staurosporine aglycone | [no description available] | medium | 1 | 0 | | |
12-o-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate | [no description available] | medium | 1 | 0 | | |
gallic acid | [no description available] | medium | 1 | 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 | 1 | 0 | trihydroxybenzoic acid | |
calmidazolium | [no description available] | medium | 1 | 0 | imidazolium ion | apoptosis inducer; calmodulin antagonist |
lucifer yellow | [no description available] | medium | 1 | 0 | organic lithium salt | fluorochrome |
prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
substance p, prolyl(2)-tryptophan(7,9)- | [no description available] | medium | 1 | 0 | | |
1-methyl-3-isobutylxanthine | [no description available] | medium | 1 | 0 | 3-isobutyl-1-methylxanthine | |
c.i. 42510 | [no description available] | medium | 1 | 0 | | |
l 451167 | [no description available] | medium | 1 | 0 | | |
bromochloroacetic acid | [no description available] | medium | 1 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
aluminum fluoride | [no description available] | medium | 1 | 0 | aluminium coordination entity | |
inositol 3,4-bisphosphate | [no description available] | medium | 1 | 0 | myo-inositol bisphosphate | human metabolite; mouse metabolite |
pentagastrin | [no description available] | medium | 1 | 0 | organic molecular entity | |
cholecystokinin | [no description available] | medium | 1 | 0 | | |
1,2-distearin | [no description available] | medium | 1 | 0 | | |
1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 1 | 0 | | |
edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
tetrodotoxin | [no description available] | medium | 1 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
glucagon | [no description available] | medium | 2 | 0 | peptide hormone | |
colforsin | [no description available] | medium | 2 | 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 |
quin2 | [no description available] | medium | 1 | 0 | | |
lypressin | [no description available] | medium | 1 | 0 | cyclic peptide | |
leukotriene b4 | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
saralasin | [no description available] | medium | 1 | 0 | oligopeptide | |
3-o-methylglucose | [no description available] | medium | 2 | 0 | D-aldohexose derivative | |
glyceraldehyde | [no description available] | medium | 1 | 0 | aldotriose | fundamental metabolite |
aplysiatoxin | [no description available] | medium | 1 | 0 | aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
teleocidin b-4 | [no description available] | medium | 1 | 0 | | |
melphalan | [no description available] | medium | 1 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
deamino arginine vasopressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
phosphoserine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
pregnenolone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
methionine | [no description available] | medium | 1 | 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 |
phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
dihydroxyacetone phosphate | [no description available] | medium | 1 | 0 | glycerone phosphates; primary alpha-hydroxy ketone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4-bromophenacyl bromide | [no description available] | medium | 1 | 0 | | |
1,2-didecanoylglycerol | [no description available] | low | 0 | 0 | 1,2-diglyceride; decanoate ester | |
dimyristoyl diglyceride | [no description available] | low | 0 | 0 | 1,2-diglyceride; tetradecanoate ester | |
tetracycline | [no description available] | medium | 111 | 0 | | |
tetracycline | [no description available] | medium | 111 | 15 | | |
minocycline | [no description available] | medium | 14 | 0 | | |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acetaminophen | [no description available] | medium | 2 | 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 |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
theophylline | [no description available] | medium | 2 | 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 |
amiodarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
anastrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
bumetanide | [no description available] | medium | 1 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
busulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
carbamazepine | [no description available] | medium | 1 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
cimetidine | [no description available] | medium | 2 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
clofibrate | [no description available] | medium | 1 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clonazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
clonidine | [no description available] | medium | 1 | 0 | clonidine; imidazoline | |
dapsone | [no description available] | medium | 1 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
diphenhydramine | [no description available] | medium | 1 | 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 |
valproic acid | [no description available] | medium | 1 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
domperidone | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
doxazosin | [no description available] | medium | 1 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
gabapentin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
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 |
glyburide | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
granisetron | [no description available] | medium | 1 | 0 | aromatic amide; indazoles | |
haloperidol | [no description available] | medium | 2 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
avapro | [no description available] | medium | 1 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
lansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
letrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
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 |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
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 |
pantoprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
phenobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
prazosin | [no description available] | medium | 1 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
procainamide | [no description available] | medium | 2 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
protriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant |
raloxifene | [no description available] | medium | 1 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
risperidone | [no description available] | medium | 1 | 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 |
rizatriptan | [no description available] | medium | 1 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
rofecoxib | [no description available] | medium | 1 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
ropinirole | [no description available] | medium | 2 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
telenzepine | [no description available] | medium | 1 | 0 | benzodiazepine | |
tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
ultram | [no description available] | medium | 1 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic; sodium channel blocker |
triazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | sedative |
trimethoprim | [no description available] | medium | 3 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
trimethoprim | [no description available] | medium | 3 | 1 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
zaleplon | [no description available] | medium | 1 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zolpidem | [no description available] | medium | 1 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
prednisone | [no description available] | medium | 2 | 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 |
penicillin g | [no description available] | medium | 8 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
chloramphenicol | [no description available] | medium | 19 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
physostigmine | [no description available] | medium | 1 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
cloxacillin | [no description available] | medium | 5 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
cloxacillin | [no description available] | medium | 5 | 1 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
norethindrone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
fluocortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
erythromycin | [no description available] | medium | 16 | 0 | cyclic ketone; erythromycin | |
erythromycin | [no description available] | medium | 16 | 2 | cyclic ketone; erythromycin | |
levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
ethambutol | [no description available] | medium | 1 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
dronabinol | [no description available] | medium | 1 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
pimozide | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic 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 |
floxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
levomethadone | [no description available] | medium | 1 | 0 | 6-(dimethylamino)-4,4-diphenylheptan-3-one | antitussive; mu-opioid receptor agonist; NMDA receptor antagonist; opioid analgesic |
phenylethylmalonamide | [no description available] | medium | 1 | 0 | amine | |
metopimazine | [no description available] | medium | 1 | 0 | phenothiazines | |
cephalexin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
metergoline | [no description available] | medium | 1 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
bromocriptine | [no description available] | medium | 2 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
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 |
diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
torsemide | [no description available] | medium | 1 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
idarubicin | [no description available] | medium | 1 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
endralazine | [no description available] | medium | 1 | 0 | benzamides | |
cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug; drug allergen |
pirazolac | [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 |
enoximone | [no description available] | medium | 2 | 0 | aromatic ketone | |
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 |
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 |
atomoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
eproxindine | [no description available] | medium | 1 | 0 | | |
(S)-nomifensine | [no description available] | medium | 1 | 0 | nomifensine | |
(2S)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
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 |
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 |
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 |
pipothiazine | [no description available] | medium | 1 | 0 | | |
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 |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
drospirenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; steroid lactone | aldosterone antagonist; contraceptive drug; progestin |
fenflumizole | [no description available] | medium | 1 | 0 | | |
prednisolone phosphate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone | anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug |
(S)-flurbiprofen | [no description available] | medium | 1 | 0 | flurbiprofen | |
atovaquone | [no description available] | medium | 1 | 0 | hydroxy-1,2-naphthoquinone | |
eletriptan | [no description available] | medium | 1 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
flunisolide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
moexipril | [no description available] | medium | 1 | 0 | peptide | |
lekoptin | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
tarenflurbil | [no description available] | medium | 1 | 0 | flurbiprofen | |
bosentan anhydrous | [no description available] | medium | 1 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
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 |
methotrexate | [no description available] | medium | 2 | 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 |
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 |
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 |
moxifloxacin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
disopyramide, (s)-isomer | [no description available] | medium | 1 | 0 | | |
isradipine, (s)-isomer | [no description available] | medium | 1 | 0 | | |
olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
ketoprofen | [no description available] | medium | 1 | 0 | | |
quinidine | [no description available] | medium | 1 | 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 |
digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
abacavir | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
linezolid | [no description available] | medium | 1 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
chloramphenicol palmitate | [no description available] | medium | 1 | 0 | hexadecanoate ester | |
tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
mycophenolic acid | [no description available] | medium | 1 | 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 |
chloroquine diphosphate | [no description available] | medium | 1 | 0 | chloroquine | |
dextromethadone | [no description available] | medium | 1 | 0 | 6-(dimethylamino)-4,4-diphenylheptan-3-one | NMDA receptor antagonist; opioid analgesic |
propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
dexketoprofen | [no description available] | medium | 1 | 0 | benzophenones; monocarboxylic acid | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ondansetron, (s)-isomer | [no description available] | medium | 1 | 0 | | |
eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant; sedative |
methimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
hmr 3647 | [no description available] | medium | 1 | 0 | | |
tocainide, (s)-isomer | [no description available] | medium | 1 | 0 | | |
calcitriol | [no description available] | medium | 1 | 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 |
clavulanic acid | [no description available] | medium | 1 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
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 |
montelukast | [no description available] | medium | 1 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
hydromorphone | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
proscillaridin | [no description available] | medium | 1 | 0 | organic molecular entity | |
sirolimus | [no description available] | medium | 1 | 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 |
fluticasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
nalbuphine | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
(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 | |
naltrexone | [no description available] | medium | 1 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
enalapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
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 |
(R)-citalopram | [no description available] | medium | 1 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 1 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
nitrofurantoin | [no description available] | medium | 4 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
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 |
gemifloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
norfenfluramine | [no description available] | medium | 1 | 0 | amphetamines | |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
chlortetracycline | [no description available] | medium | 35 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 70 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 70 | 2 | | |
piroxicam | [no description available] | medium | 1 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
(S)-warfarin | [no description available] | medium | 1 | 0 | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one | |
rifampin | [no description available] | medium | 7 | 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 |
clozapine | [no description available] | medium | 2 | 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 |
sildenafil | [no description available] | medium | 1 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
kanamycin a | [no description available] | medium | 9 | 0 | kanamycins | bacterial metabolite |
framycetin | [no description available] | medium | 5 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
streptomycin | [no description available] | medium | 7 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
streptomycin | [no description available] | medium | 7 | 1 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
bisbenzimidazole trihydrochloride | [no description available] | medium | 1 | 0 | | |
meclocycline | [no description available] | medium | 1 | 0 | | |
metastat | [no description available] | medium | 1 | 0 | | |
demeclocycline | [no description available] | medium | 42 | 0 | | |
demeclocycline | [no description available] | medium | 42 | 4 | | |
tigecycline | [no description available] | medium | 1 | 0 | | |
pk 11195 | [no description available] | medium | 1 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
jtv519 | [no description available] | medium | 1 | 0 | | |
alprazolam | [no description available] | medium | 1 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
amlexanox | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
bufexamac | [no description available] | medium | 1 | 0 | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
cadralazine | [no description available] | medium | 1 | 0 | organic molecular entity | |
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 |
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 | |
ci 994 | [no description available] | medium | 1 | 0 | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
fenbendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
homochlorocyclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
hydroxyzine | [no description available] | medium | 1 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
ifenprodil | [no description available] | medium | 1 | 0 | piperidines | |
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | [no description available] | medium | 1 | 0 | naphthalenes | |
ketamine | [no description available] | medium | 1 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketoprofen | [no description available] | medium | 1 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
mephenesin | [no description available] | medium | 1 | 0 | aromatic ether; glycerol ether | |
niclosamide | [no description available] | medium | 1 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
oxibendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine | [no description available] | medium | 1 | 0 | | |
perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
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 |
ro 31-8220 | [no description available] | medium | 1 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | medium | 1 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
zotepine | [no description available] | medium | 1 | 0 | dibenzothiepine; tertiary amino compound | alpha-adrenergic drug; second generation antipsychotic; serotonergic drug |
colchicine | [no description available] | medium | 1 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
benziodarone | [no description available] | medium | 1 | 0 | aromatic ketone | |
cyclizine | [no description available] | medium | 1 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
triclocarban | [no description available] | medium | 1 | 0 | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
4-tert-octylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
ethamivan | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
methysergide | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
emetine | [no description available] | medium | 1 | 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 |
podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
etonitazene | [no description available] | medium | 1 | 0 | | |
clothiapine | [no description available] | medium | 1 | 0 | dibenzothiazepine | |
benperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
7-hydroxychlorpromazine | [no description available] | medium | 1 | 0 | phenothiazines | |
camptothecin | [no description available] | medium | 1 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
thenalidine | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
dexchlorpheniramine | [no description available] | medium | 1 | 0 | chlorphenamine | |
dv 1006 | [no description available] | medium | 1 | 0 | | |
climbazole | [no description available] | medium | 1 | 0 | aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes | |
triadimenol | [no description available] | medium | 1 | 0 | aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite |
amonafide | [no description available] | medium | 1 | 0 | isoquinolines | |
flupirtine | [no description available] | medium | 1 | 0 | aminopyridine | |
chaetochromin | [no description available] | medium | 1 | 0 | | |
aripiprazole | [no description available] | medium | 1 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
aloxistatin | [no description available] | medium | 1 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
indocate | [no description available] | medium | 1 | 0 | | |
N(4)-acetylsulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; acetamides; sulfonamide | marine xenobiotic metabolite |
2,3-trimethylene-4-quinazolone | [no description available] | medium | 1 | 0 | quinazolines | |
1,3-dimethyluric acid | [no description available] | medium | 1 | 0 | oxopurine | metabolite |
danofloxacin | [no description available] | medium | 1 | 0 | quinolines | |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
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 |
9-methoxyellipticine | [no description available] | medium | 1 | 0 | | |
3-aminophenoxazone | [no description available] | medium | 1 | 0 | phenoxazine | |
3-deazaneplanocin | [no description available] | medium | 1 | 0 | | |
tryptanthrine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
2-chlorodiazepam | [no description available] | medium | 1 | 0 | | |
Polycartine B | [no description available] | medium | 1 | 0 | phenazines | |
aminoquinuride dihydrochloride | [no description available] | medium | 1 | 0 | | |
thioproperazine mesylate | [no description available] | medium | 1 | 0 | phenothiazines | |
n(6)-(delta(2)-isopentenyl)adenine | [no description available] | medium | 1 | 0 | 6-isopentenylaminopurine | cytokinin |
4-methyl-N-(phenylmethyl)benzenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
zpck | [no description available] | medium | 1 | 0 | | |
sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
fingolimod | [no description available] | medium | 1 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
tesmilifene | [no description available] | medium | 1 | 0 | diarylmethane | |
sr 27897 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
norketamine | [no description available] | medium | 1 | 0 | organochlorine compound | |
indatraline | [no description available] | medium | 1 | 0 | indanes | |
salvinorin a | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organooxygen compound | metabolite; oneirogen |
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide | [no description available] | medium | 1 | 0 | | |
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide | [no description available] | medium | 1 | 0 | phenylindole | |
l 741626 | [no description available] | medium | 1 | 0 | piperidines | |
dx 8951 | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
tipifarnib | [no description available] | medium | 1 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
avasimibe | [no description available] | medium | 1 | 0 | monoterpenoid | |
l 163191 | [no description available] | medium | 1 | 0 | | |
dizocilpine | [no description available] | medium | 1 | 0 | secondary amino compound; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
s-benzylcysteine | [no description available] | medium | 1 | 0 | S-aryl-L-cysteine zwitterion | |
chelidonine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
lapatinib | [no description available] | medium | 1 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
roxindole | [no description available] | medium | 1 | 0 | indoles | alpha-adrenergic antagonist; serotonergic drug |
conidendrin | [no description available] | medium | 1 | 0 | | |
Porfiromycine | [no description available] | medium | 1 | 0 | mitomycin | |
nsc 95397 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
4-methyl-2-quinazolinamine | [no description available] | medium | 1 | 0 | | |
2-glycineamide-5-chlorophenyl-2-pyrryl ketone | [no description available] | medium | 1 | 0 | | |
niguldipine hydrochloride | [no description available] | medium | 1 | 0 | | |
2,5-bis(5-hydroxymethyl-2-thienyl)furan | [no description available] | medium | 1 | 0 | thiophenes | |
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 |
bardoxolone methyl | [no description available] | medium | 1 | 0 | cyclohexenones | |
Destruxin B | [no description available] | medium | 1 | 0 | cyclodepsipeptide | |
tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 1 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
sitafloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
2'-c-methylcytidine | [no description available] | medium | 1 | 0 | | |
jp-1302 | [no description available] | medium | 1 | 0 | | |
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one | [no description available] | medium | 1 | 0 | benzodiazepine | |
tenatoprazole | [no description available] | medium | 1 | 0 | imidazopyridine | |
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 |
5-[(2-fluoroanilino)methyl]-8-quinolinol | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
benidipine | [no description available] | medium | 1 | 0 | | |
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one | [no description available] | medium | 1 | 0 | quinazolines | |
chlorprothixene | [no description available] | medium | 1 | 0 | chlorprothixene | |
jrf 12 | [no description available] | medium | 1 | 0 | | |
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | methoxybenzenes; substituted aniline | |
3-hydroxypyridine, sodium salt | [no description available] | medium | 1 | 0 | | |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | [no description available] | medium | 1 | 0 | naphthalenecarboxamide | |
5-[(2-bromoanilino)methyl]-8-quinolinol | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide | [no description available] | medium | 1 | 0 | | |
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline | [no description available] | medium | 1 | 0 | aromatic amine | |
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | [no description available] | medium | 1 | 0 | acetamides; anilide | |
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; thiophenes | |
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | medium | 1 | 0 | aromatic ether | |
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione | [no description available] | medium | 1 | 0 | maleimides | |
Src Inhibitor-1 | [no description available] | medium | 1 | 0 | aromatic ether; polyether; quinazolines; secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | [no description available] | medium | 1 | 0 | pyrroles | |
bi-78d3 | [no description available] | medium | 1 | 0 | aryl sulfide | |
kartogenin | [no description available] | medium | 1 | 0 | | |
toremifene | [no description available] | medium | 1 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
vx-745 | [no description available] | medium | 1 | 0 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
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 |
zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | [no description available] | medium | 1 | 0 | indoles | |
nih-12848 | [no description available] | medium | 1 | 0 | | |
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide | [no description available] | medium | 1 | 0 | quinazolines | |
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone | [no description available] | medium | 1 | 0 | benzimidazoles | |
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile | [no description available] | medium | 1 | 0 | imidazopyridine | |
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | [no description available] | medium | 1 | 0 | aromatic ketone | |
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | oxopurine | |
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester | [no description available] | medium | 1 | 0 | organonitrogen compound; organosulfur compound | |
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
LSM-1924 | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organooxygen compound | |
ferrostatin-1 | [no description available] | medium | 1 | 0 | ethyl ester; primary arylamine; substituted aniline | antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger |
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine | [no description available] | medium | 1 | 0 | C-nitro compound | |
rabeprazole(1-) | [no description available] | medium | 1 | 0 | organic nitrogen anion | |
ncgc00099374 | [no description available] | medium | 1 | 0 | | |
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide | [no description available] | medium | 1 | 0 | benzamides | |
luteolin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
kaempferol | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
genistein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
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 |
bruceantin | [no description available] | medium | 1 | 0 | triterpenoid | |
chrysin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
daidzein | [no description available] | medium | 1 | 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 |
neticonazole | [no description available] | medium | 1 | 0 | aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide | antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine | [no description available] | medium | 1 | 0 | endocannabinoid; N-acylethanolamine 22:6 | |
alpha-zearalenol | [no description available] | medium | 1 | 0 | macrolide | |
su 9516 | [no description available] | medium | 1 | 0 | | |
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
sb 277011 | [no description available] | medium | 1 | 0 | | |
sb 223412 | [no description available] | medium | 1 | 0 | | |
sr 59230a | [no description available] | medium | 1 | 0 | tetralins | |
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide | [no description available] | medium | 1 | 0 | pyrimidines | |
kn 62 | [no description available] | medium | 1 | 0 | piperazines | |
MeJA | [no description available] | medium | 1 | 0 | Jasmonate derivatives | |
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- | [no description available] | medium | 1 | 0 | | |
pd 161570 | [no description available] | medium | 1 | 0 | | |
palbociclib | [no description available] | medium | 1 | 0 | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
jnj-7706621 | [no description available] | medium | 1 | 0 | sulfonamide | |
virginiamycin factor s1 | [no description available] | medium | 1 | 0 | cyclodepsipeptide; macrolide antibiotic | antibacterial drug; bacterial metabolite |
fenoterol | [no description available] | medium | 1 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
xib 4035 | [no description available] | medium | 1 | 0 | | |
gw-5074 | [no description available] | medium | 1 | 0 | | |
belotecan | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
norgestimate | [no description available] | medium | 1 | 0 | ketoxime; steroid ester; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
b 43 | [no description available] | medium | 1 | 0 | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine | [no description available] | medium | 1 | 0 | | |
methiazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
sb 218795 | [no description available] | medium | 1 | 0 | quinolines | |
bvt.948 | [no description available] | medium | 1 | 0 | | |
fk 866 | [no description available] | medium | 1 | 0 | benzamides; N-acylpiperidine | |
a 38503 | [no description available] | medium | 1 | 0 | | |
parthenolide | [no description available] | medium | 1 | 0 | sesquiterpene lactone | drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
krn 633 | [no description available] | medium | 1 | 0 | | |
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
gw 501516 | [no description available] | medium | 1 | 0 | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
dolastatin 10 | [no description available] | medium | 1 | 0 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
spc-839 | [no description available] | medium | 1 | 0 | | |
valnemulin | [no description available] | medium | 1 | 0 | | |
nu 7026 | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organooxygen compound | |
osi 930 | [no description available] | medium | 1 | 0 | aromatic amide | |
ticagrelor | [no description available] | medium | 1 | 0 | aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines | P2Y12 receptor antagonist; platelet aggregation inhibitor |
l 692585 | [no description available] | medium | 1 | 0 | peptide | |
pi103 | [no description available] | medium | 1 | 0 | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
nnc 26-9100 | [no description available] | medium | 1 | 0 | aminopyridine | |
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine | [no description available] | medium | 1 | 0 | | |
tivozanib | [no description available] | medium | 1 | 0 | aromatic ether | |
hki 272 | [no description available] | medium | 1 | 0 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | [no description available] | medium | 1 | 0 | | |
tae226 | [no description available] | medium | 1 | 0 | morpholines | |
gw0742 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
u 18666a | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor |
sb 525334 | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
bx795 | [no description available] | medium | 1 | 0 | ureas | |
azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea | [no description available] | medium | 1 | 0 | | |
bay 61-3606 | [no description available] | medium | 1 | 0 | pyrimidines | |
sd-208 | [no description available] | medium | 1 | 0 | | |
crenolanib | [no description available] | medium | 1 | 0 | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
cj 033466 | [no description available] | medium | 1 | 0 | | |
cc 401 | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
PB28 | [no description available] | medium | 1 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
arterolane | [no description available] | medium | 1 | 0 | | |
cariprazine | [no description available] | medium | 1 | 0 | | |
krp-203 | [no description available] | medium | 1 | 0 | | |
regorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
at 7867 | [no description available] | medium | 1 | 0 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester | [no description available] | medium | 1 | 0 | pyrroloquinoline | |
ptc 124 | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
degrasyn | [no description available] | medium | 1 | 0 | | |
bi 2536 | [no description available] | medium | 1 | 0 | | |
azd 1152 | [no description available] | medium | 1 | 0 | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
carfilzomib | [no description available] | medium | 1 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
idelalisib | [no description available] | medium | 1 | 0 | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
motesanib | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
pf-562,271 | [no description available] | medium | 1 | 0 | indoles | |
gliocladin c | [no description available] | medium | 1 | 0 | | |
sb 706504 | [no description available] | medium | 1 | 0 | | |
ku-0060648 | [no description available] | medium | 1 | 0 | dibenzothiophenes | |
bgt226 | [no description available] | medium | 1 | 0 | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
n-desmethyldanofloxacin | [no description available] | medium | 1 | 0 | | |
azd 1152-hqpa | [no description available] | medium | 1 | 0 | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
CDN1163 | [no description available] | medium | 1 | 0 | aromatic ether; quinolines; secondary carboxamide | SERCA activator |
gsk 269962a | [no description available] | medium | 1 | 0 | | |
pha 848125 | [no description available] | medium | 1 | 0 | | |
nvp-bhg712 | [no description available] | medium | 1 | 0 | benzamides | |
pf 04217903 | [no description available] | medium | 1 | 0 | quinolines | |
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one | [no description available] | medium | 1 | 0 | aromatic ketone | |
ph 797804 | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
srt1720 | [no description available] | medium | 1 | 0 | | |
purfalcamine | [no description available] | medium | 1 | 0 | | |
bms 754807 | [no description available] | medium | 1 | 0 | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ponatinib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor |
quizartinib | [no description available] | medium | 1 | 0 | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor |
PP121 | [no description available] | medium | 1 | 0 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor |
navitoclax | [no description available] | medium | 1 | 0 | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
gsk 650394 | [no description available] | medium | 1 | 0 | phenylpyridine | |
dcc-2036 | [no description available] | medium | 1 | 0 | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
cabozantinib | [no description available] | medium | 1 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
TAK-580 | [no description available] | medium | 1 | 0 | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | chromones | |
pf 3758309 | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | [no description available] | medium | 1 | 0 | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide; thienopyrimidine | |
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide; thienopyrimidine | |
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide; thienopyrimidine | |
baricitinib | [no description available] | medium | 1 | 0 | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent |
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine | [no description available] | medium | 1 | 0 | quinazolines | |
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
p505-15 | [no description available] | medium | 1 | 0 | | |
mrt67307 | [no description available] | medium | 1 | 0 | aromatic amine | |
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | piperazines | |
ribociclib | [no description available] | medium | 1 | 0 | | |
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone | [no description available] | medium | 1 | 0 | aromatic ketone; thienopyrimidine | |
pha 793887 | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
gsk 2334470 | [no description available] | medium | 1 | 0 | indazoles | |
ml228 probe | [no description available] | medium | 1 | 0 | 1,2,4-triazines; biphenyls; pyridines; secondary amino compound | hypoxia-inducible factor pathway activator |
pf-03882845 | [no description available] | medium | 1 | 0 | | |
jq1 compound | [no description available] | medium | 1 | 0 | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer |
pf-04620110 | [no description available] | medium | 1 | 0 | | |
gsk525762a | [no description available] | medium | 1 | 0 | benzodiazepine | |
birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
torin 1 | [no description available] | medium | 1 | 0 | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
abt-199 | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea | [no description available] | medium | 1 | 0 | ureas | |
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
ncgc00242364 | [no description available] | medium | 1 | 0 | quinazolines | |
gsk1210151a | [no description available] | medium | 1 | 0 | imidazoquinoline | |
hs-173 | [no description available] | medium | 1 | 0 | | |
sr1664 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide | [no description available] | medium | 1 | 0 | | |
cudc-907 | [no description available] | medium | 1 | 0 | | |
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid | [no description available] | medium | 1 | 0 | quinolines | |
agi-5198 | [no description available] | medium | 1 | 0 | | |
cep-32496 | [no description available] | medium | 1 | 0 | | |
epz004777 | [no description available] | medium | 1 | 0 | N-glycosyl compound | |
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound | |
entecavir | [no description available] | medium | 1 | 0 | benzamides; N-acylpiperidine | |
gkt137831 | [no description available] | medium | 1 | 0 | | |
vx-509 | [no description available] | medium | 1 | 0 | | |
vx-970 | [no description available] | medium | 1 | 0 | sulfonamide | |
gs-9973 | [no description available] | medium | 1 | 0 | | |
amg 925 | [no description available] | medium | 1 | 0 | | |
gne-618 | [no description available] | medium | 1 | 0 | | |
g007-lk | [no description available] | medium | 1 | 0 | | |
volitinib | [no description available] | medium | 1 | 0 | | |
ML355 | [no description available] | medium | 1 | 0 | benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor |
acp-196 | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk343 | [no description available] | medium | 1 | 0 | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
agi-6780 | [no description available] | medium | 1 | 0 | | |
khs101 | [no description available] | medium | 1 | 0 | | |
cb-839 | [no description available] | medium | 1 | 0 | | |
gsk-j4 | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound | |
pf-06424439 | [no description available] | medium | 1 | 0 | | |
etp-46464 | [no description available] | medium | 1 | 0 | | |
onc201 | [no description available] | medium | 1 | 0 | | |
kai407 | [no description available] | medium | 1 | 0 | | |
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine | [no description available] | medium | 1 | 0 | | |
enasidenib | [no description available] | medium | 1 | 0 | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
oicr-9429 | [no description available] | medium | 1 | 0 | | |
lly-507 | [no description available] | medium | 1 | 0 | | |
at 9283 | [no description available] | medium | 1 | 0 | | |
hypoxanthine | [no description available] | medium | 1 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
1-hydroxyphenazine | [no description available] | medium | 1 | 0 | phenazines | |
ro 24-7429 | [no description available] | medium | 1 | 0 | benzodiazepine | |
nintedanib | [no description available] | medium | 1 | 0 | | |
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 1 | 0 | catechols; hydrazide; hydrazone; naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
ver 52296 | [no description available] | medium | 1 | 0 | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |
rvx 208 | [no description available] | medium | 1 | 0 | | |
bmn 673 | [no description available] | medium | 1 | 0 | | |
niacinamide | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
closantel | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
balsalazide | [no description available] | medium | 1 | 0 | | |
fulvestrant | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
antimycin | [no description available] | medium | 1 | 0 | | |
sulfan blue | [no description available] | medium | 1 | 0 | organic molecular entity | |
acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
formic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
europium | [no description available] | medium | 3 | 0 | f-block element atom; lanthanoid atom | |
betadex | [no description available] | medium | 2 | 0 | cyclodextrin | |
creatine | [no description available] | medium | 2 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
lincomycin | [no description available] | medium | 7 | 1 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
muramidase | [no description available] | medium | 6 | 3 | | |
sodium sulfite | [no description available] | medium | 1 | 0 | inorganic sodium salt; sulfite salt | food preservative; reducing agent |
potassium permanganate | [no description available] | medium | 1 | 0 | | |
sulfites | [no description available] | medium | 1 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
ranitidine | [no description available] | medium | 1 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
cetyltrimethylammonium ion | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
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 |
pyrroles | [no description available] | medium | 1 | 0 | pyrrole; secondary amine | |
rolitetracycline | [no description available] | medium | 9 | 0 | | |
promethazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
chloroquine | [no description available] | medium | 2 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
amphotericin b | [no description available] | medium | 5 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
paromomycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
emepronium | [no description available] | medium | 1 | 0 | diarylmethane | |
ampicillin | [no description available] | medium | 20 | 5 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
oxacillin | [no description available] | medium | 6 | 0 | penicillin | antibacterial agent; antibacterial drug |
broadcillin | [no description available] | medium | 1 | 0 | | |
beryllium | [no description available] | medium | 1 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
aluminum | [no description available] | medium | 2 | 0 | boron group element atom; elemental aluminium; metal atom | |
penicillamine | [no description available] | medium | 1 | 1 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
titanium | [no description available] | medium | 1 | 0 | titanium group element atom | |
vanadium | [no description available] | medium | 1 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
hydrochloric acid | [no description available] | medium | 2 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
cephaloridine | [no description available] | medium | 8 | 1 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
sulfamethoxazole | [no description available] | medium | 3 | 2 | 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 |
D-fructopyranose | [no description available] | medium | 1 | 1 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
gentamicin | [no description available] | medium | 10 | 0 | | |
amoxicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
glycogen | [no description available] | medium | 1 | 0 | | |
proroxan | [no description available] | medium | 1 | 0 | | |
amphoglucamine | [no description available] | medium | 1 | 0 | | |
metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
ristocetin | [no description available] | medium | 2 | 0 | glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative | antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist |
troleandomycin | [no description available] | medium | 4 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
lymecycline | [no description available] | medium | 5 | 2 | | |
cephalothin | [no description available] | medium | 5 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
rifamycins | [no description available] | medium | 1 | 0 | | |
dihydrostreptomycin sulfate | [no description available] | medium | 1 | 0 | | |
nalidixic acid | [no description available] | medium | 5 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
colistin | [no description available] | medium | 6 | 0 | | |
methenamine | [no description available] | medium | 1 | 0 | polyazaalkane; polycyclic cage; tetramine | antibacterial drug |
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 |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
puromycin | [no description available] | medium | 1 | 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 |
nitrofurazone | [no description available] | medium | 1 | 0 | | |
cephalosporin c | [no description available] | medium | 4 | 1 | cephalosporin | fungal metabolite |
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 |
carbenicillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
erythromycin ethylsuccinate | [no description available] | medium | 2 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
biguanides | [no description available] | medium | 1 | 1 | guanidines | |
lysine | [no description available] | medium | 1 | 0 | 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 |
probenecid | [no description available] | medium | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
dicloxacillin | [no description available] | medium | 2 | 0 | dichlorobenzene; penicillin | antibacterial drug |
sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
glycerol | [no description available] | medium | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
guaiacol | [no description available] | medium | 1 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
sulfamethoxypyridazine | [no description available] | medium | 2 | 0 | pyridazines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
methicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
agar | [no description available] | medium | 1 | 0 | | |
radium | [no description available] | medium | 1 | 0 | alkaline earth metal atom | |
bilirubin | [no description available] | medium | 2 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
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 |
oxymetazoline | [no description available] | medium | 1 | 0 | carboxamidine; imidazolines; phenols | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
eye | [no description available] | medium | 2 | 0 | | |