Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
irinotecan | [no description available] | medium | 2 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
phosphatidylcholines | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
luminol | [no description available] | medium | 3 | 0 | | |
gold | [no description available] | medium | 2 | 0 | copper group element atom; elemental gold | |
licochalcone b | [no description available] | medium | 1 | 0 | chalcones | |
artemether | [no description available] | medium | 178 | 43 | artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid | antimalarial |
andrographolide | [no description available] | medium | 1 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
arteannuin b | [no description available] | medium | 1 | 0 | | |
ruthenium | [no description available] | medium | 1 | 0 | iron group element atom; platinum group metal atom | |
artemisinin | [no description available] | medium | 181 | 26 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
choline | [no description available] | medium | 1 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
mefloquine | [no description available] | medium | 286 | 101 | | |
quinine | [no description available] | medium | 154 | 36 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
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 |
hydroxychloroquine | [no description available] | medium | 2 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
chloroquine | [no description available] | medium | 166 | 35 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
dextrothyroxine | [no description available] | medium | 3 | 0 | | |
imatinib mesylate | [no description available] | medium | 5 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
bafilomycin a | [no description available] | medium | 1 | 0 | | |
molnupiravir | [no description available] | medium | 1 | 0 | isopropyl ester; ketoxime; nucleoside analogue | anticoronaviral agent; antiviral drug; prodrug |
atazanavir sulfate | [no description available] | medium | 2 | 0 | organic sulfate salt | |
ciclesonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
favipiravir | [no description available] | medium | 1 | 0 | hydroxypyrazine; organofluorine compound; primary carboxamide | anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor |
cytidine | [no description available] | medium | 1 | 0 | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
amodiaquine | [no description available] | medium | 184 | 81 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
ritonavir | [no description available] | medium | 5 | 1 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
valine | [no description available] | medium | 2 | 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 |
nitazoxanide | [no description available] | medium | 2 | 0 | benzamides; carboxylic ester | |
pyronaridine | [no description available] | medium | 43 | 14 | aminoquinoline | |
thiazoles | [no description available] | medium | 2 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
pyrazines | [no description available] | medium | 4 | 0 | diazine; pyrazines | Daphnia magna metabolite |
carbamates | [no description available] | medium | 2 | 0 | amino-acid anion | |
bms-790052 | [no description available] | medium | 1 | 0 | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
cgp-56697 | [no description available] | medium | 63 | 26 | | |
amphotericin b | [no description available] | medium | 5 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial 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 |
benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
praziquantel | [no description available] | medium | 36 | 12 | isoquinolines | |
azomycin | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles | antitubercular agent |
remifentanil | [no description available] | medium | 1 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
valacyclovir | [no description available] | medium | 2 | 0 | L-valyl ester | antiviral drug |
valganciclovir | [no description available] | medium | 2 | 0 | L-valyl ester; purines | antiviral drug; prodrug |
artenimol | [no description available] | medium | 194 | 53 | | |
piperaquine | [no description available] | medium | 60 | 24 | aminoquinoline; N-arylpiperazine; organochlorine compound | antimalarial |
lgk974 | [no description available] | medium | 1 | 0 | bipyridines; pyrazines; pyridines; secondary carboxamide | Wnt signalling inhibitor |
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 |
limestone | [no description available] | medium | 1 | 0 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
cytarabine | [no description available] | medium | 5 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
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 |
dinoprostone | [no description available] | medium | 6 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
ganciclovir | [no description available] | medium | 4 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
temozolomide | [no description available] | medium | 8 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
bilirubin | [no description available] | medium | 2 | 1 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
verapamil | [no description available] | medium | 4 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
lead | [no description available] | medium | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
sulfadoxine | [no description available] | medium | 165 | 78 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
pyrimethamine | [no description available] | medium | 178 | 86 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
lomustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
curcumin | [no description available] | medium | 2 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
mannitol | [no description available] | medium | 1 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
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 |
adenosine diphosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
ribose | [no description available] | medium | 1 | 0 | D-ribose; ribopyranose | |
fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
paclitaxel | [no description available] | medium | 3 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
sertraline | [no description available] | medium | 2 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
procyanidin | [no description available] | medium | 1 | 0 | proanthocyanidin | |
oz 439 | [no description available] | medium | 3 | 1 | | |
ferroquine | [no description available] | medium | 5 | 3 | | |
isosorbide dinitrate | [no description available] | medium | 1 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
isosorbide-5-mononitrate | [no description available] | medium | 1 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
lipoxin a4 | [no description available] | medium | 1 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
daunorubicin | [no description available] | medium | 3 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
artemotil | [no description available] | medium | 15 | 0 | artemisinin derivative | |
sesquiterpenes | [no description available] | medium | 627 | 193 | | |
bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
camptothecin | [no description available] | medium | 2 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
peramivir | [no description available] | medium | 1 | 0 | | |
sorafenib | [no description available] | medium | 6 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
metformin | [no description available] | medium | 1 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
amoxicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
glycerol | [no description available] | medium | 2 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
arsenic trioxide | [no description available] | medium | 3 | 0 | | |
rhein | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
aluminum | [no description available] | medium | 1 | 0 | boron group element atom; elemental aluminium; metal atom | |
primaquine | [no description available] | medium | 48 | 21 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
quinidine gluconate | [no description available] | medium | 2 | 0 | D-gluconate adduct | |
quinidine | [no description available] | medium | 5 | 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 |
imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
1,2-dimethylhydrazine | [no description available] | medium | 2 | 0 | hydrazines | alkylating agent; carcinogenic agent |
aspirin | [no description available] | medium | 3 | 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 |
clindamycin | [no description available] | medium | 11 | 1 | | |
lumefantrine | [no description available] | medium | 67 | 28 | fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine | antimalarial |
ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
clopidogrel carboxylic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; monochlorobenzenes; tertiary amino compound; thienopyridine | drug metabolite; marine xenobiotic metabolite |
rifampin | [no description available] | medium | 2 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
methylene blue | [no description available] | medium | 8 | 4 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
mevalonic acid | [no description available] | medium | 1 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
rutin | [no description available] | medium | 2 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
losartan potassium | [no description available] | medium | 4 | 0 | | |
atovaquone | [no description available] | medium | 23 | 8 | hydroxy-1,2-naphthoquinone | |
proguanil | [no description available] | medium | 43 | 19 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
mefloquine carboxylic acid | [no description available] | medium | 1 | 0 | quinolines | |
desethylamodiaquine | [no description available] | medium | 9 | 5 | | |
carboplatin | [no description available] | medium | 3 | 0 | | |
deoxycytidine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
gemcitabine | [no description available] | medium | 2 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
dinitrochlorobenzene | [no description available] | medium | 2 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
gadolinium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
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 |
2-ethyl-2-oxazoline | [no description available] | medium | 1 | 0 | | |
oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
indomethacin | [no description available] | medium | 1 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
malondialdehyde | [no description available] | medium | 6 | 0 | dialdehyde | biomarker |
ovalbumin | [no description available] | medium | 4 | 0 | | |
epoxyazadiradione | [no description available] | medium | 1 | 0 | acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; insecticide; plant metabolite |
iridium | [no description available] | medium | 1 | 0 | cobalt group element atom; platinum group metal atom | |
tafenoquine | [no description available] | medium | 5 | 2 | (trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound | |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 2 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
methyl-thiohydantoin-tryptophan | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
quinazolines | [no description available] | medium | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
erastin | [no description available] | medium | 2 | 0 | aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide | antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor |
spautin-1 | [no description available] | medium | 1 | 0 | | |
fanasil, pyrimethamine drug combination | [no description available] | medium | 141 | 71 | | |
tetramethylpyrazine | [no description available] | medium | 2 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
tilorone | [no description available] | medium | 1 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
quinacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
withaferin a | [no description available] | medium | 1 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
withanolides | [no description available] | medium | 1 | 0 | | |
calpain | [no description available] | medium | 2 | 0 | | |
niacinamide | [no description available] | medium | 3 | 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 |
meglumine antimoniate | [no description available] | medium | 1 | 1 | | |
allopurinol | [no description available] | medium | 1 | 1 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
dolutegravir | [no description available] | medium | 4 | 0 | difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide | HIV-1 integrase inhibitor |
chloroquine diphosphate | [no description available] | medium | 1 | 0 | | |
piperidines | [no description available] | medium | 1 | 0 | | |
heme | [no description available] | medium | 8 | 0 | | |
cassine | [no description available] | medium | 1 | 0 | citraconoyl group | |
diminazene aceturate | [no description available] | medium | 1 | 0 | N-acetylglycinate salt | antiparasitic agent; trypanocidal drug |
diminazene | [no description available] | medium | 2 | 0 | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
protectin d1 | [no description available] | medium | 1 | 0 | dihydroxydocosahexaenoic acid; protectin; secondary allylic alcohol | anti-inflammatory agent; apoptosis inhibitor; hepatoprotective agent; human xenobiotic metabolite; neuroprotective agent; PPARgamma agonist; specialised pro-resolving mediator |
palladium | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
benzothiophene | [no description available] | medium | 1 | 0 | 1-benzothiophenes; benzothiophene | |
lactic acid | [no description available] | medium | 8 | 1 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
angiotensin ii | [no description available] | medium | 1 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
histidine | [no description available] | medium | 1 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
rhenium | [no description available] | medium | 1 | 0 | manganese group element atom | |
dacarbazine | [no description available] | medium | 7 | 0 | dacarbazine | |
aminolevulinic acid | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
4,7-dichloroquinoline | [no description available] | medium | 1 | 0 | | |
concanavalin a | [no description available] | medium | 4 | 0 | | |
pyrrolidine dithiocarbamate | [no description available] | medium | 1 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
phytochlorin | [no description available] | medium | 1 | 0 | | |
cyclin d1 | [no description available] | medium | 5 | 0 | | |
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 |
quercetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
erlotinib hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
adamantane | [no description available] | medium | 5 | 0 | adamantanes; polycyclic alkane | |
s 53482 | [no description available] | medium | 1 | 0 | benzoxazine; dicarboximide; organofluorine compound; terminal acetylenic compound | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide; teratogenic agent |
glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
adamantanine | [no description available] | medium | 1 | 0 | | |
folic acid | [no description available] | medium | 2 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
betadex | [no description available] | medium | 2 | 0 | cyclodextrin | |
acetaminophen | [no description available] | medium | 2 | 1 | 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 |
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 |
tocophersolan | [no description available] | medium | 2 | 0 | tocol | |
antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant; radical scavenger |
ro13-9904 | [no description available] | medium | 5 | 0 | | |
zithromax | [no description available] | medium | 15 | 8 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
trypan blue | [no description available] | medium | 1 | 0 | | |
neutral red | [no description available] | medium | 1 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
cefotaxime | [no description available] | medium | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
beta-escin | [no description available] | medium | 1 | 0 | | |
lucanthone hydrochloride | [no description available] | medium | 19 | 5 | | |
beta-aminoarteether maleate | [no description available] | medium | 1 | 0 | maleate salt | allergen |
gamma-aminobutyric acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
scopoletin | [no description available] | medium | 1 | 0 | hydroxycoumarin | plant growth regulator; plant metabolite |
arginine | [no description available] | medium | 1 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
natriuretic peptide, brain | [no description available] | medium | 1 | 1 | polypeptide | |
tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
mocetinostat | [no description available] | medium | 1 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
acetylcysteine | [no description available] | medium | 6 | 2 | 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 |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
calcium gluconate | [no description available] | medium | 1 | 0 | calcium salt | nutraceutical |
oxacillin | [no description available] | medium | 2 | 0 | penicillin | antibacterial agent; antibacterial drug |
hydrogen sulfide | [no description available] | medium | 1 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
sodium bisulfide | [no description available] | medium | 1 | 0 | | |
gyy 4137 | [no description available] | medium | 1 | 0 | organic molecular entity | |
1,2,4-trioxane | [no description available] | medium | 1 | 0 | | |
dinitrofluorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
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 |
flavin-adenine dinucleotide | [no description available] | medium | 1 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
arsenic | [no description available] | medium | 2 | 0 | metalloid atom; pnictogen | micronutrient |
artemisin | [no description available] | medium | 6 | 1 | | |
allicin | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; sulfoxide | antibacterial agent |
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 |
selenium | [no description available] | medium | 1 | 0 | chalcogen; nonmetal atom | micronutrient |
retinol | [no description available] | medium | 1 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
triptolide | [no description available] | medium | 1 | 0 | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite |
phenanthrenes | [no description available] | medium | 8 | 1 | | |
oxamniquine | [no description available] | medium | 2 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound | |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
lamivudine | [no description available] | medium | 3 | 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 |
epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
transferrin | [no description available] | medium | 3 | 0 | | |
sincalide | [no description available] | medium | 1 | 0 | oligopeptide | |
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine | [no description available] | medium | 1 | 0 | cyanine dye; indolium ion | fluorochrome |
carbocyanines | [no description available] | medium | 2 | 0 | cyanine dye; organic iodide salt | fluorochrome |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
arterolane | [no description available] | medium | 4 | 0 | | |
artemisone | [no description available] | medium | 4 | 0 | | |
metoprolol | [no description available] | medium | 1 | 1 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
trichlorfon | [no description available] | medium | 1 | 0 | organic phosphonate; organochlorine compound; phosphonic ester | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
mangostin | [no description available] | medium | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
chlorotonil a | [no description available] | medium | 1 | 0 | | |
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 |
itraconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
disulfiram | [no description available] | medium | 1 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
captopril | [no description available] | medium | 1 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
rhodamine b | [no description available] | medium | 1 | 0 | organic chloride salt; xanthene dye | fluorescent probe; fluorochrome; histological dye |
3,3'-dihexyl-2,2'-oxacarbocyanine | [no description available] | medium | 1 | 0 | | |
miconazole | [no description available] | medium | 2 | 0 | dichlorobenzene; ether; imidazoles | |
pyrvinium | [no description available] | medium | 1 | 0 | quinolinium ion | anthelminthic drug; antineoplastic agent |
hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
l 743,872 | [no description available] | medium | 1 | 0 | | |
8-(3-carboxy-1-methylpropylamino)-6-methoxyquinoline | [no description available] | medium | 1 | 1 | organonitrogen compound; organooxygen compound | |
diclofenac | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
fullerene c60 | [no description available] | medium | 1 | 0 | fullerene | geroprotector |
baicalein | [no description available] | medium | 1 | 0 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
gw 257406x | [no description available] | medium | 2 | 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 |
vitamin k semiquinone radical | [no description available] | medium | 1 | 0 | | |
cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
chitosan | [no description available] | medium | 3 | 0 | | |
indole-3-carbinol | [no description available] | medium | 1 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
naphthoquinones | [no description available] | medium | 9 | 5 | | |
salicylates | [no description available] | medium | 1 | 0 | monohydroxybenzoate | plant metabolite |
stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
3-hydroxy-4-prenyl-5-methoxystilbene-2-carboxylic acid | [no description available] | medium | 1 | 0 | | |
pyrroles | [no description available] | medium | 3 | 0 | pyrrole; secondary amine | |
atorvastatin | [no description available] | medium | 2 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
hydroxyproline | [no description available] | medium | 2 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
sb 203580 | [no description available] | medium | 1 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
ha14-1 | [no description available] | medium | 1 | 0 | 1-benzopyran | |
buthionine sulfoximine | [no description available] | medium | 2 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
carbon tetrachloride | [no description available] | medium | 2 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
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 |
acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
ferrostatin-1 | [no description available] | medium | 2 | 0 | ethyl ester; primary arylamine; substituted aniline | antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger |
artemisitene | [no description available] | medium | 1 | 0 | | |
deferoxamine | [no description available] | medium | 3 | 2 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
lopinavir | [no description available] | medium | 2 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease 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 |
sybr green i | [no description available] | medium | 1 | 0 | benzothiazolium ion; cyanine dye; quinolines; tertiary amine | fluorescent dye |
zinc protoporphyrin ix | [no description available] | medium | 1 | 0 | | |
paraquat | [no description available] | medium | 1 | 0 | organic cation | geroprotector; herbicide |
acetyl-aspartyl-glutamyl-valyl-aspartal | [no description available] | medium | 1 | 0 | tetrapeptide | protease inhibitor |
3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
tyrosine | [no description available] | medium | 1 | 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 |
interleukin-8 | [no description available] | medium | 4 | 0 | | |
isoprene | [no description available] | medium | 1 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
brefeldin a | [no description available] | medium | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
sq-23377 | [no description available] | medium | 1 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
phorbol-12-myristate | [no description available] | medium | 1 | 0 | | |
myelin oligodendrocyte glycoprotein (35-55) | [no description available] | medium | 1 | 0 | | |
desethylchloroquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
decoquinate | [no description available] | medium | 1 | 0 | | |
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 |
carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
simvastatin | [no description available] | medium | 2 | 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 |
taurocholic acid | [no description available] | medium | 1 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
artelinic acid | [no description available] | medium | 8 | 0 | | |
ammonium hydroxide | [no description available] | medium | 1 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
pituitrin | [no description available] | medium | 1 | 0 | | |
trigonelline | [no description available] | medium | 1 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
asparagine | [no description available] | medium | 1 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 3 | 3 | | |
chlorproguanil | [no description available] | medium | 14 | 6 | dichlorobenzene | |
dapsone | [no description available] | medium | 24 | 11 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
(3S,5S,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 | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | |
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 |
cephalosporin c | [no description available] | medium | 2 | 0 | cephalosporin | fungal metabolite |
ellagic acid | [no description available] | medium | 1 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
ng-nitroarginine methyl ester | [no description available] | medium | 2 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
pentoxifylline | [no description available] | medium | 3 | 2 | oxopurine | |
tribendimidine | [no description available] | medium | 8 | 1 | | |
5-fluoroorotic acid | [no description available] | medium | 1 | 0 | | |
orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
sulfalene | [no description available] | medium | 11 | 9 | pyrazines; sulfonamide antibiotic; sulfonamide | |
4-hydroxypyridine | [no description available] | medium | 1 | 0 | 4-pyridones; monohydroxypyridine | |
hypoxanthine | [no description available] | medium | 1 | 1 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
ursodeoxycholic acid | [no description available] | medium | 1 | 1 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
quassin | [no description available] | medium | 1 | 0 | triterpenoid | |
neoquassin | [no description available] | medium | 1 | 0 | triterpenoid | |
cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
berberine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker |
wogonin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
oxymatrine | [no description available] | medium | 1 | 0 | | |
ibuprofen | [no description available] | medium | 1 | 1 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
warfarin | [no description available] | medium | 1 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
triclabendazole | [no description available] | medium | 3 | 1 | aromatic ether | |
acid phosphatase | [no description available] | medium | 1 | 0 | | |
lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
thalidomide | [no description available] | medium | 1 | 0 | phthalimides; piperidones | |
vitamin b 12 | [no description available] | medium | 1 | 0 | | |
formaldehyde | [no description available] | medium | 1 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
bafilomycin a1 | [no description available] | medium | 1 | 0 | cyclic hemiketal; macrolide antibiotic; oxanes | apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin |
beta-lactams | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
5'-n-methylcarboxamideadenosine | [no description available] | medium | 1 | 0 | | |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
adenosine | [no description available] | medium | 1 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
fingolimod hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
sphingosine 1-phosphate | [no description available] | medium | 1 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
ferrous sulfate | [no description available] | medium | 1 | 0 | iron molecular entity; metal sulfate | reducing agent |
epidermal growth factor | [no description available] | medium | 1 | 0 | | |
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 |
fumagillin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor |
mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
bisbenzimidazole | [no description available] | medium | 1 | 0 | bibenzimidazole; N-methylpiperazine | anthelminthic drug; fluorochrome |
rka 182 | [no description available] | medium | 1 | 0 | | |
leflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
isoxazoles | [no description available] | medium | 1 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
prizes | [no description available] | medium | 1 | 1 | carboxamidine; monochloropyridine; nitrile | environmental contaminant; neonicotinoid insectide; xenobiotic |
nitrates | [no description available] | medium | 3 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
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 |
tetracycline | [no description available] | medium | 8 | 6 | | |
pamaquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
trimethoprim | [no description available] | medium | 1 | 1 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
halofantrine | [no description available] | medium | 7 | 1 | phenanthrenes | |
fosfomycin | [no description available] | medium | 2 | 1 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
fosmidomycin | [no description available] | medium | 2 | 1 | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
methyl chloride | [no description available] | medium | 1 | 0 | chloromethanes; methyl halides | marine metabolite; mutagen; refrigerant |
bromine | [no description available] | medium | 1 | 0 | diatomic bromine | |
hexafluoroisopropanol | [no description available] | medium | 1 | 0 | organofluorine compound; secondary alcohol | drug metabolite |
fluoromethane | [no description available] | medium | 1 | 0 | fluorohydrocarbon; fluoromethanes; methyl halides | refrigerant |
fluorine | [no description available] | medium | 1 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
cycloguanil | [no description available] | medium | 1 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
epiglucan | [no description available] | medium | 1 | 1 | | |
furamidine | [no description available] | medium | 1 | 0 | | |
chlorpheniramine | [no description available] | medium | 1 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
propylene glycol | [no description available] | medium | 1 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin | |
efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
elafin | [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 |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
dodecylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
foscarnet | [no description available] | medium | 1 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
isoliquiritigenin | [no description available] | medium | 1 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
uridine | [no description available] | medium | 2 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
croton oil | [no description available] | medium | 1 | 0 | N-acyl-hexosamine | |
endothelin-1 | [no description available] | medium | 1 | 0 | | |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 1 | 0 | | |
thiobarbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; reagent |
nitrites | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
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 |
sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent; protein denaturant |
calca protein, human | [no description available] | medium | 1 | 0 | | |
dichloroacetic acid | [no description available] | medium | 1 | 1 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
lissamine rhodamine b | [no description available] | medium | 1 | 0 | | |
fast red ta | [no description available] | medium | 1 | 0 | | |
laurocapram | [no description available] | medium | 1 | 0 | | |
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 |
hydroxypiperaquine | [no description available] | medium | 2 | 0 | | |
clove | [no description available] | medium | 4 | 3 | | |
ursolic acid | [no description available] | medium | 3 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
tridemorph | [no description available] | medium | 1 | 0 | morpholines; tertiary amino compound | antifungal agrochemical |
exudates | [no description available] | medium | 11 | 3 | | |
khellin | [no description available] | medium | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
nsc-172755 | [no description available] | medium | 4 | 3 | | |
loa | [no description available] | medium | 1 | 1 | | |
guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |