Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
2'-cyano-2'-deoxyarabinofuranosylcytosine | [no description available] | medium | 4 | 0 | | |
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 |
cytarabine | [no description available] | medium | 7 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
cytarabine | [no description available] | medium | 7 | 1 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
cytosine | [no description available] | medium | 30 | 5 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
at 13387 | [no description available] | medium | 1 | 0 | benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide | antineoplastic agent; Hsp90 inhibitor |
vorinostat | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
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 |
staurosporine | [no description available] | medium | 1 | 0 | ammonium ion derivative | |
thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
vosaroxin | [no description available] | medium | 1 | 0 | | |
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 |
d-alpha tocopherol | [no description available] | medium | 1 | 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 | 1 | 0 | tocol | |
5'-oleoyl cytarabine | [no description available] | medium | 1 | 0 | pyrimidine nucleoside | |
decitabine | [no description available] | medium | 3 | 0 | 2'-deoxyribonucleoside | |
clofarabine | [no description available] | medium | 5 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
laromustine | [no description available] | medium | 1 | 0 | | |
azacitidine | [no description available] | high | 3 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
hydrazine | [no description available] | medium | 1 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
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 |
imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
troxacitabine | [no description available] | medium | 2 | 0 | carbohydrate derivative; nucleobase-containing molecular entity | |
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 | |
tipifarnib | [no description available] | medium | 2 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
carbostyril | [no description available] | medium | 2 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
arsenic | [no description available] | medium | 1 | 0 | metalloid atom; pnictogen | micronutrient |
arsenic trioxide | [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 |
ter 199 | [no description available] | medium | 1 | 0 | | |
on 01910 | [no description available] | medium | 1 | 0 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
deoxycytidine | [no description available] | medium | 5 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
gemcitabine | [no description available] | medium | 4 | 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 |
fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
meglutol | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol | anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite |
azathioprine | [no description available] | low | 0 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
hydroxyurea | [no description available] | low | 0 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
metyrapone | [no description available] | low | 0 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
floxuridine | [no description available] | medium | 0 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
azauridine | [no description available] | low | 0 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
bromodeoxyuridine | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
cycloserine | [no description available] | low | 0 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
tubercidin | [no description available] | low | 0 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
trifluridine | [no description available] | medium | 0 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
cordycepin | [no description available] | low | 0 | 0 | 3'-deoxyribonucleoside; adenosines | antimetabolite; nucleoside antibiotic |
oxythiamine | [no description available] | low | 0 | 0 | 1,3-thiazolium cation | antimetabolite; vitamin B1 antagonist |
diazooxonorleucine | [no description available] | low | 0 | 0 | amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid | analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist |
6-aminonicotinamide | [no description available] | low | 0 | 0 | aminopyridine; monocarboxylic acid amide; primary amino compound | antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent |
2-aminopurine | [no description available] | low | 0 | 0 | 2-aminopurines; nucleobase analogue | antimetabolite |
toyocamycin | [no description available] | medium | 0 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside | antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite |
stavudine | [no description available] | medium | 0 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
doxifluridine | [no description available] | low | 0 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
zalcitabine | [no description available] | low | 0 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
nsc-145,668 | [no description available] | low | 0 | 0 | hydrochloride | antimetabolite; antineoplastic agent |
ancitabine | [no description available] | low | 0 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
ethionine | [no description available] | low | 0 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
fludarabine phosphate | [no description available] | medium | 0 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
zidovudine | [no description available] | low | 0 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
ribavirin | [no description available] | low | 0 | 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 |
brequinar | [no description available] | low | 0 | 0 | biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
gemcitabine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; organofluorine compound | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent |
capecitabine | [no description available] | low | 0 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
3'-deoxyadenosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-triphosphate | antifungal agent; antimetabolite; antineoplastic agent; antiviral agent |
azauracil | [no description available] | low | 0 | 0 | 1,2,4-triazines; nucleobase analogue | antimetabolite |
5-iodouracil | [no description available] | low | 0 | 0 | organoiodine compound | antimetabolite |
methotrexate | [no description available] | low | 0 | 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 |
10-propargyl-10-deazaaminopterin | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
ezetimibe | [no description available] | low | 0 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
i-677 | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; antineoplastic agent; metabolite |
acivicin | [no description available] | low | 0 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
pentostatin | [no description available] | low | 0 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
canaline | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
azaserine | [no description available] | low | 0 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
propylthiouracil | [no description available] | low | 0 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
mercaptopurine | [no description available] | low | 0 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
thioguanine anhydrous | [no description available] | low | 0 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
thiouridine | [no description available] | medium | 0 | 0 | nucleoside analogue; thiouridine | affinity label; antimetabolite |
cerulenin | [no description available] | low | 0 | 0 | epoxide; monocarboxylic acid amide | antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor |
rx-3117 | [no description available] | low | 0 | 0 | organofluorine compound; primary allylic alcohol; triol | antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug |
anticapsin | [no description available] | low | 0 | 0 | alicyclic ketone; epoxide; L-alanine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; bacterial metabolite; EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor |
brequinar sodium | [no description available] | low | 0 | 0 | organic sodium salt | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
acyclovir | [no description available] | low | 0 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
didanosine | [no description available] | low | 0 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
allopurinol | [no description available] | low | 0 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
azaguanine | [no description available] | low | 0 | 0 | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
pemetrexed | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
pyrazofurin | [no description available] | low | 0 | 0 | C-glycosyl compound; pyrazoles | antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
protocatechuic acid | [no description available] | low | 0 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
aminolevulinic acid | [no description available] | low | 0 | 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 |
gallic acid | [no description available] | low | 0 | 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 |
perillic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid | antineoplastic agent; human metabolite; mouse metabolite |
pk 11195 | [no description available] | low | 0 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
pd 173074 | [no description available] | low | 0 | 0 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
aminopropionitrile | [no description available] | low | 0 | 0 | aminopropionitrile | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
5-(n,n-hexamethylene)amiloride | [no description available] | low | 0 | 0 | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
7,8-dihydroxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone | antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist |
ro 48-8071 | [no description available] | low | 0 | 0 | aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound | antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor |
rtki cpd | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector |
alfuzosin | [no description available] | low | 0 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
am 251 | [no description available] | low | 0 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
am 580 | [no description available] | low | 0 | 0 | amidobenzoic acid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
aminoglutethimide | [no description available] | low | 0 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
amsacrine | [no description available] | low | 0 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
anastrozole | [no description available] | medium | 0 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
azelaic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
berberine | [no description available] | low | 0 | 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 |
buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent |
busulfan | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
camostat | [no description available] | low | 0 | 0 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
carmustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
cgs 15943 | [no description available] | low | 0 | 0 | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant |
chelerythrine | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
chlorambucil | [no description available] | low | 0 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
ci 994 | [no description available] | low | 0 | 0 | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
ciglitazone | [no description available] | low | 0 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
cl 387785 | [no description available] | medium | 0 | 0 | bromobenzenes; quinazolines; secondary carboxamide; ynamide | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
clioquinol | [no description available] | low | 0 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
clofibric acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
dacarbazine | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; carcinogenic agent; prodrug |
dequalinium | [no description available] | low | 0 | 0 | quinolinium ion | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
3,3'-diindolylmethane | [no description available] | low | 0 | 0 | indoles | antineoplastic agent; P450 inhibitor |
disulfiram | [no description available] | low | 0 | 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 |
doxazosin | [no description available] | low | 0 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
ebselen | [no description available] | low | 0 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
ellipticine | [no description available] | low | 0 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
embelin | [no description available] | low | 0 | 0 | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
emodin | [no description available] | low | 0 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
etanidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent |
etidronate | [no description available] | low | 0 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
flutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
miltefosine | [no description available] | low | 0 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
beta-thujaplicin | [no description available] | low | 0 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
ifosfamide | [no description available] | low | 0 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
indole-3-carbinol | [no description available] | low | 0 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
beta-lapachone | [no description available] | low | 0 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
leflunomide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
letrozole | [no description available] | medium | 0 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
lomustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
6-anilino-5,8-quinolinedione | [no description available] | low | 0 | 0 | aminoquinoline; aromatic amine; p-quinones; quinolone | antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor |
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | medium | 0 | 0 | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
meclofenamic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
vitamin k 3 | [no description available] | low | 0 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
methoxsalen | [no description available] | low | 0 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
nocodazole | [no description available] | low | 0 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
midazolam | [no description available] | low | 0 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
mitoxantrone | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
entinostat | [no description available] | low | 0 | 0 | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
n(1), n(12)-diethylspermine | [no description available] | low | 0 | 0 | polyazaalkane; secondary amino compound; substituted spermine; tetramine | antineoplastic agent |
nilutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nortriptyline | [no description available] | low | 0 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | low | 0 | 0 | aromatic ether; C-nitro compound; sulfonamide | antineoplastic agent; cyclooxygenase 2 inhibitor |
oxyphenbutazone | [no description available] | low | 0 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
pd 158780 | [no description available] | low | 0 | 0 | aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
4-phenylbutyric acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
oxophenylarsine | [no description available] | low | 0 | 0 | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
phloretin | [no description available] | low | 0 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
pipobroman | [no description available] | low | 0 | 0 | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
pj-34 | [no description available] | medium | 0 | 0 | phenanthridines; secondary carboxamide; tertiary amino compound | angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent |
procarbazine | [no description available] | low | 0 | 0 | benzamides; hydrazines | antineoplastic agent |
salicylsalicylic acid | [no description available] | low | 0 | 0 | benzoate ester; benzoic acids; phenols; salicylates | antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
semustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent |
imatinib | [no description available] | low | 0 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
streptonigrin | [no description available] | low | 0 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
SU6656 | [no description available] | low | 0 | 0 | oxindoles; sulfonamide | antineoplastic agent; Aurora kinase inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
sulforaphane | [no description available] | low | 0 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
suramin | [no description available] | medium | 0 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
temozolomide | [no description available] | low | 0 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
terazosin | [no description available] | low | 0 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
2,2'-thiodiethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
tilorone | [no description available] | low | 0 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
troglitazone | [no description available] | low | 0 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | low | 0 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
prednisolone | [no description available] | low | 0 | 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 |
prednisone | [no description available] | low | 0 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
estrone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
mechlorethamine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
allyl isothiocyanate | [no description available] | low | 0 | 0 | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
vincristine | [no description available] | low | 0 | 0 | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
methyltestosterone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
dromostanolone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid | anabolic agent; antineoplastic agent |
tributyrin | [no description available] | low | 0 | 0 | butyrate ester; triglyceride | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent |
ethyl methanesulfonate | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
triaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
medroxyprogesterone acetate | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
fluoxymesterone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
rotenone | [no description available] | low | 0 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
acetopyrrothine | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin |
phenformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
dibenzoylmethane | [no description available] | low | 0 | 0 | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
suramin sodium | [no description available] | low | 0 | 0 | organic sodium salt | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
pyrazolanthrone | [no description available] | low | 0 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
diazomethane | [no description available] | low | 0 | 0 | diazo compound | alkylating agent; antineoplastic agent; carcinogenic agent; poison |
procarbazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
naphthazarin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite |
liriodenine | [no description available] | low | 0 | 0 | alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid | antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
lucanthone | [no description available] | low | 0 | 0 | thioxanthenes | adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug |
plumbagin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
aloe emodin | [no description available] | low | 0 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
emetine | [no description available] | low | 0 | 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 |
thymoquinone | [no description available] | low | 0 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
podophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
physcione | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
dequalinium chloride | [no description available] | low | 0 | 0 | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | low | 0 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
formestane | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
chlorotrianisene | [no description available] | low | 0 | 0 | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
megestrol acetate | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
2-hydroxyacetanilide | [no description available] | low | 0 | 0 | acetamides; phenols | anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite |
methoxyacetic acid | [no description available] | low | 0 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
hadacidin | [no description available] | low | 0 | 0 | aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid | antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent |
2-fluoroadenine | [no description available] | low | 0 | 0 | organofluorine compound; purines | antineoplastic agent |
tetramethylpyrazine | [no description available] | low | 0 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
guanazole | [no description available] | low | 0 | 0 | aromatic amine; triazoles | antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor |
diallyl trisulfide | [no description available] | low | 0 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
diallyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
phenethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
glaucine | [no description available] | low | 0 | 0 | aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound | antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite |
acadesine | [no description available] | medium | 0 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
megestrol | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
mitomycin a | [no description available] | low | 0 | 0 | ether; mitomycin | alkylating agent; antimicrobial agent; antineoplastic agent; toxin |
cladribine | [no description available] | low | 0 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
tabersonine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antineoplastic agent; metabolite |
vidarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
cyclophosphamide | [no description available] | low | 0 | 0 | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent |
helenalin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
etidronate disodium | [no description available] | low | 0 | 0 | organic sodium salt | antineoplastic agent; bone density conservation agent; chelator |
isopentenyladenosine | [no description available] | medium | 0 | 0 | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
clodronic acid | [no description available] | low | 0 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
tetradecanoylphorbol acetate | [no description available] | low | 0 | 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 |
streptozocin | [no description available] | low | 0 | 0 | N-acylglucosamine; N-nitrosoureas | antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite |
2,6-diaminopurine | [no description available] | low | 0 | 0 | 2,6-diaminopurines; primary amino compound | antineoplastic agent |
silybin | [no description available] | low | 0 | 0 | aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite |
glucaric acid | [no description available] | low | 0 | 0 | glucaric acid | antineoplastic agent |
paclitaxel | [no description available] | low | 0 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
etoposide | [no description available] | low | 0 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
promegestone | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | antineoplastic agent; progesterone receptor agonist; progestin |
perfosfamide | [no description available] | low | 0 | 0 | nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide | alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite |
nimustine | [no description available] | low | 0 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
lonidamine | [no description available] | low | 0 | 0 | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
vindesine | [no description available] | low | 0 | 0 | methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent |
epirubicin | [no description available] | low | 0 | 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 |
diaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines; carbamate ester; enamine | alkylating agent; antineoplastic agent |
midazolam hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; imidazobenzodiazepine | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
oltipraz | [no description available] | low | 0 | 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 |
fazarabine | [no description available] | medium | 0 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
mitoxantrone hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
bisantrene | [no description available] | low | 0 | 0 | anthracenes; hydrazone; imidazolidines | antineoplastic agent |
swainsonine | [no description available] | low | 0 | 0 | indolizidine alkaloid | antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite |
lovastatin | [no description available] | low | 0 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
cabergoline | [no description available] | low | 0 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
nitrogenase stabilizing-protective protein, bacteria | [no description available] | low | 0 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | androgen antagonist; antineoplastic agent |
bmy 25067 | [no description available] | low | 0 | 0 | C-nitro compound; organic disulfide | antineoplastic agent |
imiquimod | [no description available] | low | 0 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
aromasil | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
cidofovir anhydrous | [no description available] | low | 0 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
topotecan | [no description available] | low | 0 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
irinotecan | [no description available] | low | 0 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
nelfinavir mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antineoplastic agent; HIV protease inhibitor |
nelfinavir | [no description available] | low | 0 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
betulinic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
baicalin | [no description available] | low | 0 | 0 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
ro 5-3335 | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; organochlorine compound; pyrroles | anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor |
plerixafor | [no description available] | low | 0 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
epigallocatechin gallate | [no description available] | low | 0 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
salvin | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid | angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | low | 0 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
pyrrolidine dithiocarbamate | [no description available] | low | 0 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
triptonide | [no description available] | low | 0 | 0 | butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound | anti-inflammatory agent; antineoplastic agent; immunosuppressive agent |
2-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
toxoflavin | [no description available] | low | 0 | 0 | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
lupulon | [no description available] | low | 0 | 0 | beta-bitter acid | angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer |
pinocembrin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
tangeretin | [no description available] | low | 0 | 0 | pentamethoxyflavone | antineoplastic agent; plant metabolite |
ethinylestradiol-3-sulfate | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; steroid sulfate | antineoplastic agent; estrogen |
lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid; monochlorobenzenes; pyrazoles | antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
bromopyruvate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; organobromine compound; oxo carboxylic acid | alkylating agent; antineoplastic agent |
enrofloxacin | [no description available] | low | 0 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
dexrazoxane | [no description available] | low | 0 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
masoprocol | [no description available] | low | 0 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
dw a 2114r | [no description available] | low | 0 | 0 | platinum coordination entity; pyrrolidines | antineoplastic agent |
prednisolone phosphate | [no description available] | low | 0 | 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 |
hesperetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
sesamin | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
betulin | [no description available] | low | 0 | 0 | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
nobiletin | [no description available] | low | 0 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
picropodophyllin | [no description available] | low | 0 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
alantolactone | [no description available] | low | 0 | 0 | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
kaurenoic acid | [no description available] | low | 0 | 0 | ent-kaurane diterpenoid | anti-HIV-1 agent; antineoplastic agent; plant metabolite |
dehydrocostus lactone | [no description available] | low | 0 | 0 | gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone | antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug |
xanthomicrol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
voacamine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; plant metabolite |
brazilin | [no description available] | low | 0 | 0 | catechols; organic heterotetracyclic compound; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite |
uvaretin | [no description available] | low | 0 | 0 | aromatic ether; dihydrochalcones; polyketide; resorcinol | antineoplastic agent; plant metabolite |
fangchinoline | [no description available] | low | 0 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle | anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite |
maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
tetrazolium violet | [no description available] | low | 0 | 0 | organic chloride salt | antineoplastic agent; apoptosis inducer; dye |
irinotecan hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
5-(3-methyl-1-triazeno)imidazole-4-carboxamide | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent |
hydroxyguanidine | [no description available] | low | 0 | 0 | guanidines; one-carbon compound | antineoplastic agent; antiviral agent |
cryptolepine | [no description available] | low | 0 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
bexarotene | [no description available] | low | 0 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
3,4-dihydroxyphenylethanol | [no description available] | low | 0 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
terreic acid | [no description available] | low | 0 | 0 | arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin |
4-methylumbelliferyl glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; coumarins; monosaccharide derivative | antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor |
9-hydroxyellipticine | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | antineoplastic agent |
nimustine | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
beta-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; plant metabolite |
alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; metabolite |
cryptopleurine | [no description available] | low | 0 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | antineoplastic agent; antiviral agent; protein synthesis inhibitor |
sugiol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols | antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger |
eupatorin | [no description available] | low | 0 | 0 | dihydroxyflavone; polyphenol; trimethoxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent |
1-methyltryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; tryptophan derivative | antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor |
atromentin | [no description available] | low | 0 | 0 | dihydroxy-1,4-benzoquinones; polyphenol | antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite |
diosgenin | [no description available] | low | 0 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite |
fulvestrant | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
ici 164384 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
sn 38 | [no description available] | low | 0 | 0 | delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol | antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
hc toxin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; tetrapeptide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin |
deguelin | [no description available] | low | 0 | 0 | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
fingolimod | [no description available] | low | 0 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
cafestol | [no description available] | low | 0 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite |
tamibarotene | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide; retinoid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
ecteinascidin 743 | [no description available] | low | 0 | 0 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite |
homoorientin | [no description available] | low | 0 | 0 | flavone C-glycoside; tetrahydroxyflavone | antineoplastic agent; radical scavenger |
kahweol | [no description available] | low | 0 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; selenocysteines | antineoplastic agent; human metabolite |
tephrosin | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; pesticide |
5-(tetradecyloxy)-2-furancarboxylic acid | [no description available] | low | 0 | 0 | aromatic ether; furoic acid | antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist |
sc 58125 | [no description available] | low | 0 | 0 | organofluorine compound; pyrazoles; sulfone | antineoplastic agent; cyclooxygenase 2 inhibitor |
marimastat | [no description available] | medium | 0 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
1'-acetoxychavicol acetate | [no description available] | low | 0 | 0 | acetate ester; phenylpropanoid | antineoplastic agent; NF-kappaB inhibitor; plant metabolite |
dioscin | [no description available] | low | 0 | 0 | hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative | anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite |
ginsenoside rh2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite |
trapoxin a | [no description available] | low | 0 | 0 | epoxide; homodetic cyclic peptide; ketone | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite |
celastrol | [no description available] | low | 0 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
4'-demethylepipodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; organic heterotetracyclic compound; phenols | antineoplastic agent |
aminolevulinic acid hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
gefitinib | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
cgp 42112a | [no description available] | low | 0 | 0 | benzyl ester; oligopeptide; pyridinecarboxamide | angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent |
vadimezan | [no description available] | low | 0 | 0 | monocarboxylic acid; xanthones | antineoplastic agent |
rubimaillin | [no description available] | low | 0 | 0 | benzochromene; methyl ester; phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite |
4-carbamoylimidazolium 5-olate | [no description available] | low | 0 | 0 | hydroxyimidazole; monocarboxylic acid amide | antineoplastic agent |
nsc 224070 | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound | alkylating agent; antineoplastic agent |
psorospermin | [no description available] | low | 0 | 0 | epoxide; organic heterotetracyclic compound; xanthones | antineoplastic agent; plant metabolite |
ay 25545 | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine | antimicrobial agent; antineoplastic agent; bacterial metabolite |
3,7-dihydroxytropolone | [no description available] | low | 0 | 0 | alpha-hydroxy ketone; cyclic ketone; enol; triol | antineoplastic agent; bacterial metabolite |
delphinidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; biological pigment; plant metabolite |
tamsulosin | [no description available] | low | 0 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
saintopin | [no description available] | low | 0 | 0 | tetracenequinones | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator |
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | [no description available] | low | 0 | 0 | monoterpenoid; organobromine compound; organochlorine compound | algal metabolite; antineoplastic agent; marine metabolite |
ilomastat | [no description available] | low | 0 | 0 | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
abiraterone | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor |
yakuchinone-a | [no description available] | low | 0 | 0 | ketone; monomethoxybenzene; phenols | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
pomalidomide | [no description available] | low | 0 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
tempol | [no description available] | low | 0 | 0 | aminoxyls; hydroxypiperidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine | antineoplastic agent |
docetaxel | [no description available] | low | 0 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
lonafarnib | [no description available] | low | 0 | 0 | 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
aclacinomycin | [no description available] | low | 0 | 0 | aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion | antimicrobial agent; antineoplastic agent; metabolite |
6-azauridine-5'-monophosphate | [no description available] | low | 0 | 0 | N-glycosyl-1,2,4-triazine; nucleoside monophosphate analogue | antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
ptk 787 | [no description available] | low | 0 | 0 | succinate salt | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
vatalanib | [no description available] | low | 0 | 0 | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
canertinib | [no description available] | low | 0 | 0 | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
methyl 5-aminolevulinate hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
methyl 5-aminolevulinate | [no description available] | low | 0 | 0 | delta-amino acid ester | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
aklavinone | [no description available] | low | 0 | 0 | anthracycline; methyl ester; tertiary alcohol; tetracenequinones | antineoplastic agent |
actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound | antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor |
anonaine | [no description available] | low | 0 | 0 | aporphine alkaloid; organic heteropentacyclic compound; oxacycle | antineoplastic agent; antiplasmodial drug; trypanocidal drug |
4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols | antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite |
salvigenin | [no description available] | low | 0 | 0 | monohydroxyflavone; trimethoxyflavone | antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite |
deferrioxamine e | [no description available] | low | 0 | 0 | cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle | antineoplastic agent; bacterial metabolite; marine metabolite; siderophore |
ampelopsin | [no description available] | low | 0 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
methylselenic acid | [no description available] | low | 0 | 0 | one-carbon compound; organoselenium compound | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite |
acetyl aleuritolic acid | [no description available] | low | 0 | 0 | acetate ester; monocarboxylic acid; pentacyclic triterpenoid | antineoplastic agent; plant metabolite |
withanolide d | [no description available] | low | 0 | 0 | 20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide | antineoplastic agent |
myricanone | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols | antineoplastic agent; plant metabolite |
cirsilineol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
pannarin | [no description available] | low | 0 | 0 | aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols | antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite |
6-methylthiohexyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate; methyl sulfide | antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent |
pectolinarin | [no description available] | low | 0 | 0 | dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite |
albicanol | [no description available] | low | 0 | 0 | carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid | antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite |
5-o-methylembelin | [no description available] | low | 0 | 0 | enol ether; monohydroxy-1,4-benzoquinones | antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite |
asperphenamate | [no description available] | low | 0 | 0 | benzamides; carboxylic ester; L-phenylalanine derivative | antineoplastic agent |
erlotinib | [no description available] | low | 0 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
erlotinib hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
corynoline | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol | antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite |
helioxanthin | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | anti-HBV agent; antineoplastic agent; plant metabolite |
top 53 | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
5-heptadecylresorcinol | [no description available] | low | 0 | 0 | 5-alkylresorcinol | antineoplastic agent; plant metabolite |
minquartynoic acid | [no description available] | low | 0 | 0 | acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne | antimalarial; antineoplastic agent; antiviral agent |
scutellarin | [no description available] | low | 0 | 0 | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
ergolide | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite |
2,5-dihydroxybenzyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol; phenols | antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite |
chrysosplenol c | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; antiviral agent; plant metabolite |
lanperisone | [no description available] | low | 0 | 0 | 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one | antineoplastic agent; calcium channel blocker; ferroptosis inducer; muscle relaxant; voltage-gated sodium channel blocker |
(-)-gallocatechin gallate | [no description available] | low | 0 | 0 | catechin; gallate ester; polyphenol | antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite |
orantinib | [no description available] | low | 0 | 0 | monocarboxylic acid; oxindoles; pyrroles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
lapatinib | [no description available] | low | 0 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
firocoxib | [no description available] | low | 0 | 0 | butenolide; cyclopropanes; enol ether; sulfone | antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2-(4-morpholinoanilino)-6-cyclohexylaminopurine | [no description available] | low | 0 | 0 | morpholines; purines; secondary amino compound; tertiary amino compound | adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent |
sorafenib | [no description available] | low | 0 | 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 |
lasofoxifene | [no description available] | low | 0 | 0 | aromatic ether; N-alkylpyrrolidine; naphthols; tetralins | antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist |
l 778,123 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent |
l 778,123 | [no description available] | medium | 0 | 0 | imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor |
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | [no description available] | low | 0 | 0 | chloroindole; organochlorine compound; sulfonamide | antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
diflomotecan | [no description available] | low | 0 | 0 | epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
demecolcine | [no description available] | low | 0 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
dromostanolone propionate | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; steroid ester | antineoplastic agent |
vincaleukoblastine | [no description available] | low | 0 | 0 | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite |
vincristine sulfate | [no description available] | low | 0 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
anisomycin | [no description available] | low | 0 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
estramustine | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
withaferin a | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
noscapine | [no description available] | low | 0 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
homoharringtonine | [no description available] | low | 0 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
elesclomol | [no description available] | low | 0 | 0 | carbohydrazide; thiocarbonyl compound | antineoplastic agent; apoptosis inducer |
wortmannin | [no description available] | low | 0 | 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 |
rocaglamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
anthricin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes | antineoplastic agent; apoptosis inducer; plant metabolite |
acronine | [no description available] | low | 0 | 0 | acridone derivatives; alkaloid | antineoplastic agent; metabolite |
taiwanin c | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | antineoplastic agent; plant metabolite; platelet aggregation inhibitor |
o-(chloroacetylcarbamoyl)fumagillol | [no description available] | low | 0 | 0 | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
bortezomib | [no description available] | low | 0 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
gant 61 | [no description available] | low | 0 | 0 | aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound | antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor |
carnosine | [no description available] | low | 0 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
puromycin | [no description available] | low | 0 | 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 |
hippeastrine | [no description available] | low | 0 | 0 | delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol | antineoplastic agent; metabolite |
peonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; metabolite |
glaucarubinone | [no description available] | low | 0 | 0 | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; plant metabolite |
helveticoside | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside re | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite |
ginsenoside rf | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
ferruginol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols | antibacterial agent; antineoplastic agent; plant metabolite; protective agent |
stevioside | [no description available] | low | 0 | 0 | beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent |
decursinol | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol | analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
naringin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
eugeniin | [no description available] | low | 0 | 0 | beta-D-glucoside; ellagitannin; gallate ester; lactone | anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
knipholone | [no description available] | low | 0 | 0 | aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols | antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite |
gingerol | [no description available] | low | 0 | 0 | beta-hydroxy ketone; guaiacols | antineoplastic agent; plant metabolite |
mucronulatol | [no description available] | low | 0 | 0 | hydroxyisoflavans; methoxyisoflavan | antineoplastic agent; plant metabolite |
syringaresinol | [no description available] | low | 0 | 0 | syringaresinol | antineoplastic agent |
enkephalin, methionine | [no description available] | low | 0 | 0 | pentapeptide; peptide zwitterion | analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist |
devazepide | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
sodium arsenite | [no description available] | low | 0 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
surfactin c | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant |
kerriamycin b | [no description available] | low | 0 | 0 | angucycline antibiotic | antineoplastic agent |
carubicin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones | antineoplastic agent; apoptosis inducer |
tretinoin | [no description available] | low | 0 | 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 |
docosahexaenoate | [no description available] | low | 0 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
eicosapentaenoic acid | [no description available] | low | 0 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
mycophenolic acid | [no description available] | low | 0 | 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 |
formycin | [no description available] | low | 0 | 0 | formycin | antineoplastic agent |
neocarzinostatin chromophore | [no description available] | low | 0 | 0 | cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester | antineoplastic agent |
epothilone b | [no description available] | low | 0 | 0 | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | low | 0 | 0 | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
n(1)-guanyl-1,7-diaminoheptane | [no description available] | low | 0 | 0 | guanidines; primary amino compound | antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor |
diethylstilbestrol | [no description available] | low | 0 | 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 |
bms 214662 | [no description available] | medium | 0 | 0 | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
epothilone a | [no description available] | low | 0 | 0 | epothilone; epoxide | antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator |
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | [no description available] | low | 0 | 0 | 6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound | antineoplastic agent; Hsp90 inhibitor |
alitretinoin | [no description available] | low | 0 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
afimoxifene | [no description available] | low | 0 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
aclarubicin | [no description available] | low | 0 | 0 | aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion | antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
teniposide | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
steviol | [no description available] | low | 0 | 0 | bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid | antineoplastic agent |
tiazofurin | [no description available] | low | 0 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
aphidicolin | [no description available] | low | 0 | 0 | tetracyclic diterpenoid | antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite |
melphalan | [no description available] | low | 0 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
prinomastat | [no description available] | low | 0 | 0 | aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor |
rubitecan | [no description available] | low | 0 | 0 | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
arsenic trioxide | [no description available] | low | 0 | 0 | arsenic oxide | antineoplastic agent; insecticide |
rhapontin | [no description available] | low | 0 | 0 | rhaponticin | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite |
isoliquiritigenin | [no description available] | low | 0 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
antofine | [no description available] | low | 0 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite |
xanthohumol | [no description available] | low | 0 | 0 | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
vedelianin | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; plant metabolite |
s 1033 | [no description available] | medium | 0 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
amygdalin | [no description available] | low | 0 | 0 | amygdalin | antineoplastic agent; apoptosis inducer; plant metabolite |
trilostane | [no description available] | medium | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile | abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
leuprolide acetate | [no description available] | low | 0 | 0 | acetate salt | antineoplastic agent; gonadotropin releasing hormone agonist |
leuprolide | [no description available] | low | 0 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
3,3',4,5'-tetrahydroxystilbene | [no description available] | low | 0 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
iFSP1 | [no description available] | medium | 0 | 0 | aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes | antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor |
4-iodo-6-phenylpyrimidine | [no description available] | low | 0 | 0 | biaryl; organoiodine compound; pyrimidines | antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor |
oncrasin-1 | [no description available] | low | 0 | 0 | arenecarbaldehyde; indoles; monochlorobenzenes | antineoplastic agent; apoptosis inducer |
curcumin | [no description available] | low | 0 | 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 |
cct018159 | [no description available] | low | 0 | 0 | benzodioxine; pyrazoles; resorcinols | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
sulindac | [no description available] | low | 0 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
aurapten | [no description available] | low | 0 | 0 | coumarins; monoterpenoid | antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary |
xl147 | [no description available] | low | 0 | 0 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
mcb-613 | [no description available] | low | 0 | 0 | cyclic ketone; enone; pyridines | antineoplastic agent; steroid receptor coactivator stimulator |
tamoxifen | [no description available] | low | 0 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
stattic | [no description available] | low | 0 | 0 | 1-benzothiophenes; C-nitro compound; sulfone | antineoplastic agent; radiosensitizing agent; STAT3 inhibitor |
krn 7000 | [no description available] | low | 0 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
10058-F4 | [no description available] | low | 0 | 0 | olefinic compound; thiazolidinone | antineoplastic agent; apoptosis inducer |
monastrol | [no description available] | low | 0 | 0 | enoate ester; ethyl ester; phenols; racemate; thioureas | antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor |
toremifene | [no description available] | low | 0 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
u 0126 | [no description available] | low | 0 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
beauvericin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor |
nelarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
bms 387032 | [no description available] | medium | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
manool | [no description available] | low | 0 | 0 | labdane diterpenoid; tertiary alcohol | antibacterial agent; antineoplastic agent; plant metabolite |
amrubicin | [no description available] | low | 0 | 0 | anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes | antineoplastic agent; prodrug; topoisomerase II inhibitor |
ospemifene | [no description available] | low | 0 | 0 | aromatic ether; organochlorine compound; primary alcohol | anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator |
tandutinib | [no description available] | low | 0 | 0 | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
dasatinib | [no description available] | low | 0 | 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 |
emetine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor |
bigelovin | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite |
zd 6474 | [no description available] | low | 0 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
l 663536 | [no description available] | low | 0 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
sc 560 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug |
alsterpaullone | [no description available] | low | 0 | 0 | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
ginkgetin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
eupatilin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
quercetin | [no description available] | low | 0 | 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 |
biochanin a | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
vitexin | [no description available] | low | 0 | 0 | C-glycosyl compound; trihydroxyflavone | antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor |
apigenin | [no description available] | low | 0 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
luteolin | [no description available] | low | 0 | 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 |
calcitriol | [no description available] | low | 0 | 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 |
herbacetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite |
hymecromone | [no description available] | low | 0 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
chrysoeriol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
dexmedetomidine | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; metabolite |
bryostatin 1 | [no description available] | low | 0 | 0 | acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist |
quercetin 3-o-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2 | [no description available] | low | 0 | 0 | prostaglandins J; secondary alcohol | antineoplastic agent; antiviral agent |
genistein | [no description available] | low | 0 | 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 |
pyrvinium | [no description available] | low | 0 | 0 | quinolinium ion | anthelminthic drug; antineoplastic agent |
cyclobenzaprine | [no description available] | low | 0 | 0 | 9,11,13-octadecatrienoic acid | antineoplastic agent; plant metabolite |
butein | [no description available] | low | 0 | 0 | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor |
cucurbitacin i | [no description available] | low | 0 | 0 | cucurbitacin; tertiary alpha-hydroxy ketone | antineoplastic agent; plant metabolite |
daphnoretin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | antineoplastic agent; antiviral agent; metabolite |
costunolide | [no description available] | low | 0 | 0 | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite |
eupatolide | [no description available] | low | 0 | 0 | gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol | antineoplastic agent; plant metabolite |
oleuropein | [no description available] | low | 0 | 0 | beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside | anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger |
agathisflavone | [no description available] | low | 0 | 0 | biaryl; biflavonoid; hydroxyflavone | antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite |
baicalein | [no description available] | low | 0 | 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 |
chrysin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
diosmetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent |
hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | antineoplastic agent; metabolite; neuroprotective agent |
hispidulin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
gartanin | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; plant metabolite |
mangostin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
norathyriol | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
morin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
morusin | [no description available] | low | 0 | 0 | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
myricetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
robustaflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
tricetin | [no description available] | low | 0 | 0 | pentahydroxyflavone | antineoplastic agent; metabolite |
wogonin | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
daidzein | [no description available] | low | 0 | 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 |
astringin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | antineoplastic agent; antioxidant; metabolite |
pterostilbene | [no description available] | low | 0 | 0 | diether; methoxybenzenes; stilbenol | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger |
irilone | [no description available] | low | 0 | 0 | hydroxyisoflavone; organic heterotricyclic compound; oxacycle | antineoplastic agent; immunomodulator; metabolite |
caffeic acid phenethyl ester | [no description available] | low | 0 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
wedelolactone | [no description available] | low | 0 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite |
maytansine | [no description available] | low | 0 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
rottlerin | [no description available] | low | 0 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
tectochrysin | [no description available] | low | 0 | 0 | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
plaunotol | [no description available] | low | 0 | 0 | diterpenoid; primary alcohol | anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary |
tranilast | [no description available] | medium | 0 | 0 | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent |
tocotrienol, beta | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; apoptosis inducer; plant metabolite |
gamma-tocotrienol | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent |
tocotrienol, delta | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite |
4'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
isotretinoin | [no description available] | low | 0 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
9,11-linoleic acid | [no description available] | low | 0 | 0 | octadeca-9,11-dienoic acid | anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite |
camostat mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
sirolimus | [no description available] | low | 0 | 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 |
3',4',7-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
alvocidib | [no description available] | low | 0 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
fenretinide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
geldanamycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor |
4-oxoretinol | [no description available] | low | 0 | 0 | cyclic ketone; enone; primary allylic alcohol; retinoid | antineoplastic agent |
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | low | 0 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
vinorelbine | [no description available] | low | 0 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
centaureidin | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite |
3,3'-di-o-methylquercetin | [no description available] | low | 0 | 0 | 3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone | antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
ethyl caffeate | [no description available] | low | 0 | 0 | alkyl caffeate ester; ethyl ester; hydroxycinnamic acid | anti-inflammatory agent; antineoplastic agent; metabolite |
andrographolide | [no description available] | low | 0 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
isoginkgetin | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite |
cudraflavone c | [no description available] | low | 0 | 0 | tetrahydroxyflavone | antibacterial agent; antineoplastic agent; plant metabolite |
neobavaisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor |
neoglycyrol | [no description available] | low | 0 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; plant metabolite |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
spiraeoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; plant metabolite |
rhamnazin | [no description available] | low | 0 | 0 | aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone | antineoplastic agent; plant metabolite |
oridonin | [no description available] | low | 0 | 0 | cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol | angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
pd 166866 | [no description available] | low | 0 | 0 | biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
bosutinib | [no description available] | medium | 0 | 0 | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
semaxinib | [no description available] | low | 0 | 0 | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
su 11248 | [no description available] | low | 0 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
palbociclib | [no description available] | low | 0 | 0 | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
mitoguazone | [no description available] | low | 0 | 0 | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
reumycin | [no description available] | low | 0 | 0 | carbonyl compound; pyrimidotriazine | antimicrobial agent; antineoplastic agent; bacterial metabolite |
ergosterol-5,8-peroxide | [no description available] | low | 0 | 0 | 3beta-sterol; ergostanoid; organic peroxide; phytosterols | antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug |
ermanin | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite |
romidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide; heterocyclic antibiotic; organic disulfide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulindac sulfide | [no description available] | low | 0 | 0 | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
bay 11-7085 | [no description available] | medium | 0 | 0 | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
macluraxanthone b | [no description available] | low | 0 | 0 | phenols; xanthones | anti-HIV agent; antineoplastic agent; metabolite |
flavokawain b | [no description available] | low | 0 | 0 | chalcones; dimethoxybenzene; phenols | anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite |
tamsulosin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | alpha-adrenergic antagonist; antineoplastic agent |
batimastat | [no description available] | medium | 0 | 0 | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
glyceryl behenate | [no description available] | low | 0 | 0 | 1-monoglyceride; fatty acid ester | antineoplastic agent; plant metabolite |
jaceosidin | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite |
5,7,3'-trihydroxy-3,4'-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
pederin | [no description available] | medium | 0 | 0 | cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide | antimitotic; antineoplastic agent; bacterial metabolite; vesicant |
artocarpin lectin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
cisplatin | [no description available] | low | 0 | 0 | diamminedichloroplatinum | antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent |
bleomycin | [no description available] | low | 0 | 0 | bleomycin | antineoplastic agent; metabolite |
beta-aminopropionitrile fumarate (2:1) | [no description available] | low | 0 | 0 | fumarate salt | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
gamma-mangostin | [no description available] | low | 0 | 0 | phenols; xanthones | antineoplastic agent; plant metabolite; protein kinase inhibitor |
demethoxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antineoplastic agent; metabolite |
cystothiazole a | [no description available] | low | 0 | 0 | 1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic | antifungal agent; antineoplastic agent; bacterial metabolite |
lespenefril | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite |
baohuoside i | [no description available] | low | 0 | 0 | glycosyloxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite |
arglabin | [no description available] | low | 0 | 0 | epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone | antineoplastic agent; metabolite |
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one | [no description available] | low | 0 | 0 | enone; pyridines | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor |
ma-1 | [no description available] | low | 0 | 0 | carboxamidine; organochlorine compound; pyrimidone; pyrrolidines | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
apratoxin a | [no description available] | low | 0 | 0 | 1,3-thiazoles; apratoxin | antineoplastic agent; metabolite |
coronardine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
ascofuranone | [no description available] | low | 0 | 0 | dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone | angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite |
columbianadin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester; furanocoumarin | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite |
germacrone | [no description available] | low | 0 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
rhizoxin | [no description available] | low | 0 | 0 | 1,3-oxazoles; epoxide; macrolide antibiotic | antimitotic; antineoplastic agent; metabolite |
sibiromycin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine | antineoplastic agent; bacterial metabolite |
bryostatin 2 | [no description available] | low | 0 | 0 | bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | antineoplastic agent; marine metabolite; protein kinase C agonist |
manumycin | [no description available] | medium | 0 | 0 | enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol | antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite |
thermozymocidin | [no description available] | low | 0 | 0 | alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid | antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent |
asukamycin | [no description available] | medium | 0 | 0 | enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite |
everolimus | [no description available] | low | 0 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
13(S)-HODE | [no description available] | low | 0 | 0 | HODE | antineoplastic agent; human xenobiotic metabolite; mouse metabolite |
ixabepilone | [no description available] | low | 0 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
axitinib | [no description available] | low | 0 | 0 | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
salvianolic acid B | [no description available] | low | 0 | 0 | 1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite |
l 744832 | [no description available] | medium | 0 | 0 | benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector |
sophoraflavanone a | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; antineoplastic agent; metabolite |
tanespimycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
manzamine a | [no description available] | low | 0 | 0 | alkaloid; beta-carbolines; isoquinolines | animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite |
aureothin | [no description available] | low | 0 | 0 | 4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes | antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor |
fostriecin | [no description available] | low | 0 | 0 | 2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor |
artesunate | [no description available] | low | 0 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
ru 58668 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
soblidotin | [no description available] | low | 0 | 0 | tetrapeptide | antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
beta-elemene | [no description available] | low | 0 | 0 | beta-elemene | antineoplastic agent |
laulimalide | [no description available] | low | 0 | 0 | carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol | animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent |
jwh-133 | [no description available] | low | 0 | 0 | benzochromene; dibenzopyran; organic heterotricyclic compound | analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent |
belinostat | [no description available] | low | 0 | 0 | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
panobinostat | [no description available] | low | 0 | 0 | cinnamamides; hydroxamic acid; methylindole; secondary amino compound | angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
bml 210 | [no description available] | low | 0 | 0 | dicarboxylic acid diamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
bufalin | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid | animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug |
alpha-solanine | [no description available] | low | 0 | 0 | glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative | antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite |
rhosin | [no description available] | low | 0 | 0 | D-tryptophan derivative; hydrazone; quinoxaline derivative | antineoplastic agent; RhoA inhibitor; RhoC inhibitor |
s-allylcysteine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
2-hydroxy-9-cis-octadecenoic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid | antihypertensive agent; antineoplastic agent; apoptosis inducer |
dolastatin 10 | [no description available] | low | 0 | 0 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
plitidepsin | [no description available] | low | 0 | 0 | didemnin | anticoronaviral agent; antineoplastic agent; marine metabolite |
abiraterone acetate | [no description available] | low | 0 | 0 | pyridines; sterol ester | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug |
lenvatinib | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
nsc 716970 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound | antineoplastic agent |
pd 0325901 | [no description available] | low | 0 | 0 | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
jasplakinolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; phenols | actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent |
muromonab-cd3 | [no description available] | low | 0 | 0 | alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite |
ginsenoside m1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite |
cabazitaxel | [no description available] | low | 0 | 0 | tetracyclic diterpenoid | antineoplastic agent; microtubule-stabilising agent |
elisidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antineoplastic agent |
fr 148083 | [no description available] | low | 0 | 0 | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
mocetinostat | [no description available] | medium | 0 | 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 |
tln 4601 | [no description available] | low | 0 | 0 | dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol | antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) inhibitor |
scio-469 | [no description available] | low | 0 | 0 | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
tmc-95a | [no description available] | low | 0 | 0 | indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol | antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor |
cp 724714 | [no description available] | low | 0 | 0 | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether; indole alkaloid; organic heterotetracyclic compound | antineoplastic agent; antiplasmodial drug; metabolite |
topopyrone c | [no description available] | low | 0 | 0 | naphthochromene; p-quinones; phenols | antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite |
pi103 | [no description available] | low | 0 | 0 | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; iminium salt | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
fty 720p | [no description available] | low | 0 | 0 | monoalkyl phosphate; primary alcohol; primary amino compound | antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist |
hmr 1275 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
zm 447439 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor |
hki 272 | [no description available] | medium | 0 | 0 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
ginsenoside f2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside rg3 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite |
es-285 | [no description available] | low | 0 | 0 | amino alcohol; sphingoid | antineoplastic agent |
nidulalin a | [no description available] | low | 0 | 0 | methyl ester; phenols; xanthones | antimicrobial agent; antineoplastic agent; Penicillium metabolite |
hypothemycin | [no description available] | low | 0 | 0 | aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone | antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite |
rucaparib | [no description available] | low | 0 | 0 | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
jte 607 | [no description available] | low | 0 | 0 | hydrochloride | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug |
pasireotide | [no description available] | low | 0 | 0 | homodetic cyclic peptide; peptide hormone | antineoplastic agent |
npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antibacterial agent; antineoplastic agent; metabolite |
NNC 55-0396 (free base) | [no description available] | low | 0 | 0 | benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker |
sr 11302 | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes | antineoplastic agent; AP-1 antagonist |
sch 51344 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound | antineoplastic agent |
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid | anti-inflammatory agent; antineoplastic agent; plant metabolite |
osu 03012 | [no description available] | low | 0 | 0 | antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
ly2090314 | [no description available] | low | 0 | 0 | diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
cerberin | [no description available] | low | 0 | 0 | acetate ester; cardenolide glycoside; monosaccharide derivative | antineoplastic agent; metabolite |
pateamine a | [no description available] | low | 0 | 0 | 1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound | antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite |
6-hydroxytaxol | [no description available] | low | 0 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent |
masitinib | [no description available] | low | 0 | 0 | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor |
avenanthramide b | [no description available] | medium | 0 | 0 | amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide | antineoplastic agent; apoptosis inducer; phytoalexin |
ageladine a | [no description available] | low | 0 | 0 | alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite |
ly-2157299 | [no description available] | low | 0 | 0 | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
pazopanib | [no description available] | low | 0 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
azd 6244 | [no description available] | low | 0 | 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 |
azd2858 | [no description available] | medium | 0 | 0 | aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide | antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
bibw 2992 | [no description available] | medium | 0 | 0 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
bl1521 | [no description available] | low | 0 | 0 | enamide; hydroxamic acid; monocarboxylic acid amide | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
jte 013 | [no description available] | low | 0 | 0 | chloropyridine; pyrazolopyridine | anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist |
holomycin | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite |
binimetinib | [no description available] | low | 0 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
aee 788 | [no description available] | low | 0 | 0 | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
saracatinib | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent |
crenolanib | [no description available] | low | 0 | 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 |
trilobacin | [no description available] | low | 0 | 0 | butenolide; polyketide; triol | antineoplastic agent; plant metabolite |
manassantin b | [no description available] | low | 0 | 0 | benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol | antineoplastic agent; metabolite |
pha 665752 | [no description available] | medium | 0 | 0 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor |
PB28 | [no description available] | low | 0 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
tmc-95b | [no description available] | low | 0 | 0 | indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol | antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor |
fr 901464 | [no description available] | low | 0 | 0 | acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide | antimicrobial agent; antineoplastic agent; bacterial metabolite |
vinflunine | [no description available] | low | 0 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid | antineoplastic agent |
homocamptothecin | [no description available] | low | 0 | 0 | epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol | antineoplastic agent; metabolite |
jaspamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide; organobromine compound | animal metabolite; antineoplastic agent; marine metabolite |
ossamycin | [no description available] | low | 0 | 0 | cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol | antineoplastic agent; bacterial metabolite |
nigranoic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; tetracyclic triterpenoid | antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite |
esculeoside a | [no description available] | low | 0 | 0 | azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin | antineoplastic agent; metabolite |
azadirone | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | antineoplastic agent; antiplasmodial drug; plant metabolite |
iejimalide b | [no description available] | low | 0 | 0 | ether; formamides; macrolide | antineoplastic agent; marine metabolite |
migrastatin | [no description available] | low | 0 | 0 | ether; macrolide antibiotic; piperidones; secondary alcohol | antineoplastic agent; metabolite |
cembra-2,7,11-triene-4,6-diol | [no description available] | low | 0 | 0 | cembrane diterpenoid | antineoplastic agent |
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one | [no description available] | low | 0 | 0 | polyphenol; xanthones | anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite |
regorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
at 7867 | [no description available] | low | 0 | 0 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
ym 155 | [no description available] | low | 0 | 0 | organic bromide salt | antineoplastic agent; apoptosis inducer; survivin suppressant |
bielschowskysin | [no description available] | low | 0 | 0 | acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound | antimalarial; antineoplastic agent; metabolite |
erastin | [no description available] | low | 0 | 0 | aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide | antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor |
abt-737 | [no description available] | low | 0 | 0 | aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
brivanib | [no description available] | low | 0 | 0 | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
ascochlorin | [no description available] | low | 0 | 0 | cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid | angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite |
spiculoic acid a | [no description available] | low | 0 | 0 | carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes | antineoplastic agent; metabolite |
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide | [no description available] | low | 0 | 0 | D-valine derivative; hydroxamic acid | antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor |
at 7519 | [no description available] | medium | 0 | 0 | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide | antineoplastic agent; bacterial metabolite |
marizomib | [no description available] | low | 0 | 0 | beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide | antineoplastic agent; proteasome inhibitor |
er-086526 | [no description available] | low | 0 | 0 | cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound | antineoplastic agent; microtubule-destabilising agent |
obolactone | [no description available] | low | 0 | 0 | 2-pyranones; 4-pyranones | antineoplastic agent; plant metabolite |
episilvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
abt 869 | [no description available] | low | 0 | 0 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
azd 1152 | [no description available] | medium | 0 | 0 | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
pf 00299804 | [no description available] | medium | 0 | 0 | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
ki11502 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; quinolines; thioureas | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
carfilzomib | [no description available] | low | 0 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
idelalisib | [no description available] | low | 0 | 0 | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
crizotinib | [no description available] | low | 0 | 0 | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
zstk474 | [no description available] | low | 0 | 0 | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
trametinib | [no description available] | low | 0 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
lyoniresinol | [no description available] | low | 0 | 0 | dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins | antineoplastic agent; metabolite |
GDC-0879 | [no description available] | low | 0 | 0 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor |
physalin b | [no description available] | low | 0 | 0 | enone; lactone; organic heteroheptacyclic compound; physalin | antimalarial; antimicrobial agent; antineoplastic agent |
amrubicinol | [no description available] | low | 0 | 0 | diastereoisomeric mixture; quinone; secondary alcohol; tetracenes | antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor |
silvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
cytotrienin a | [no description available] | low | 0 | 0 | cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol | antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite |
dactolisib | [no description available] | medium | 0 | 0 | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
bgt226 | [no description available] | low | 0 | 0 | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
2'-methoxykurarinone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone | antineoplastic agent; metabolite |
gedunin | [no description available] | low | 0 | 0 | acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid | antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite |
monascin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide | antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist |
monascorubrin | [no description available] | low | 0 | 0 | azaphilone; enone; gamma-lactone; polyketide; triketone | anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; Hsp90 inhibitor |
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | [no description available] | low | 0 | 0 | alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound | anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite |
SYC-435 | [no description available] | low | 0 | 0 | benzenes; cyclic hydroxamic acid; pyridone | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside | antineoplastic agent; plant metabolite |
mogrol | [no description available] | low | 0 | 0 | hydroxy seco-steroid; tetracyclic triterpenoid | antineoplastic agent |
simalikalactone D | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol | antimalarial; antineoplastic agent; antiviral agent; metabolite |
4-methyl-5-pentylbenzene-1,3-diol | [no description available] | low | 0 | 0 | resorcinols | antineoplastic agent |
mdv 3100 | [no description available] | medium | 0 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
azd 1152-hqpa | [no description available] | medium | 0 | 0 | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
adonixanthin | [no description available] | low | 0 | 0 | carotenone; cyclic ketone; secondary alcohol | algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite |
schweinfurthin g | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; metabolite |
abarelix | [no description available] | low | 0 | 0 | polypeptide | antineoplastic agent; hormone antagonist |
forapin | [no description available] | low | 0 | 0 | peptidyl amide; polypeptide | animal metabolite; antineoplastic agent; apoptosis inducer; EC 2.7.11.13 (protein kinase C) inhibitor; hepatoprotective agent; neuroprotective agent; venom |
gastrin 17 | [no description available] | low | 0 | 0 | gastrin | antineoplastic agent |
gdc-0973 | [no description available] | low | 0 | 0 | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
buparlisib | [no description available] | low | 0 | 0 | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
tubocapsanolide a | [no description available] | low | 0 | 0 | 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide | antineoplastic agent; NF-kappaB inhibitor |
ro5126766 | [no description available] | low | 0 | 0 | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
pevonedistat | [no description available] | low | 0 | 0 | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
tg101209 | [no description available] | low | 0 | 0 | N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk690693 | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cnf 2024 | [no description available] | low | 0 | 0 | 2-aminopurines; aromatic ether; organochlorine compound; pyridines | antineoplastic agent; Hsp90 inhibitor |
ku 0063794 | [no description available] | low | 0 | 0 | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
respirantin | [no description available] | low | 0 | 0 | benzamides; cyclodepsipeptide; formamides; phenols | antimicrobial agent; antineoplastic agent; metabolite |
sm 164 | [no description available] | medium | 0 | 0 | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent |
berkeleydione | [no description available] | low | 0 | 0 | beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone | antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite |
lucidenic acid n | [no description available] | low | 0 | 0 | cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid | antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
bromophycolide a | [no description available] | low | 0 | 0 | diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol | anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite |
nnc 55-0396 | [no description available] | low | 0 | 0 | hydrochloride | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker |
meclofenamate sodium anhydrous | [no description available] | low | 0 | 0 | hydrate | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
borrelidin | [no description available] | low | 0 | 0 | aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol | antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite |
olaparib | [no description available] | low | 0 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
plx 4720 | [no description available] | low | 0 | 0 | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
lcl161 | [no description available] | low | 0 | 0 | 1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine | antineoplastic agent; apoptosis inducer |
aspergillide b | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
tenovin-6 | [no description available] | low | 0 | 0 | monocarboxylic acid amide; tertiary amino compound; thioureas | antineoplastic agent; p53 activator; Sir2 inhibitor |
lde225 | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
gdc 0449 | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
bms 754807 | [no description available] | low | 0 | 0 | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
marinopyrrole a | [no description available] | low | 0 | 0 | aromatic ketone; organochlorine compound; phenols; pyrroles | antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite |
delanzomib | [no description available] | low | 0 | 0 | C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative | antineoplastic agent; apoptosis inducer; proteasome inhibitor |
grassypeptolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle | antineoplastic agent; metabolite |
pci 32765 | [no description available] | low | 0 | 0 | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
ponatinib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor |
spiruchostatin b | [no description available] | low | 0 | 0 | macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin | antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor |
AMG-208 | [no description available] | low | 0 | 0 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor |
sch772984 | [no description available] | medium | 0 | 0 | biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide | analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
papuamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol | anti-HIV-1 agent; antineoplastic agent; marine metabolite |
antroquinonol d | [no description available] | low | 0 | 0 | enol ether; enone; secondary alcohol | antineoplastic agent; fungal metabolite |
6-methoxyspirotryprostatin b | [no description available] | low | 0 | 0 | aromatic ether; azaspiro compound; indole alkaloid; indolones | antineoplastic agent; Aspergillus metabolite |
PP121 | [no description available] | low | 0 | 0 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor |
niraparib | [no description available] | low | 0 | 0 | benzenes; indazoles; piperidines; primary carboxamide | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
niraparib | [no description available] | low | 0 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent |
navitoclax | [no description available] | low | 0 | 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 |
lucitanib | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
chondramide c | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | [no description available] | medium | 0 | 0 | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
cetrorelix | [no description available] | low | 0 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
histrelin | [no description available] | low | 0 | 0 | oligopeptide | antineoplastic agent; gonadotropin releasing hormone agonist |
cabozantinib | [no description available] | low | 0 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
salvileucalin b | [no description available] | low | 0 | 0 | bridged compound; diterpenoid; furans; gamma-lactone | antineoplastic agent; metabolite |
incb-018424 | [no description available] | medium | 0 | 0 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
poziotinib | [no description available] | low | 0 | 0 | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
asp3026 | [no description available] | low | 0 | 0 | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
entrectinib | [no description available] | medium | 0 | 0 | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pexidartinib | [no description available] | low | 0 | 0 | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
TAK-580 | [no description available] | medium | 0 | 0 | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
glasdegib | [no description available] | medium | 0 | 0 | benzimidazoles; nitrile; phenylureas; piperidines | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
gsk 2126458 | [no description available] | low | 0 | 0 | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
ixazomib | [no description available] | low | 0 | 0 | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
cx 5461 | [no description available] | medium | 0 | 0 | diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor |
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | [no description available] | low | 0 | 0 | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
plx4032 | [no description available] | low | 0 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
GDC-0623 | [no description available] | low | 0 | 0 | hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
INDY | [no description available] | low | 0 | 0 | benzothiazoles; enone; organic hydroxy compound | antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor |
7,8-dihydroxyflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | antineoplastic agent; metabolite |
dabrafenib | [no description available] | low | 0 | 0 | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor |
cblc137 | [no description available] | low | 0 | 0 | aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator |
2,3-dihydro-3beta-O-sulfate withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
leachianone a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antimalarial; antineoplastic agent; metabolite |
thiopental sodium | [no description available] | low | 0 | 0 | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor |
EG00229 | [no description available] | medium | 0 | 0 | benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes | angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist |
jadomycin b | [no description available] | low | 0 | 0 | glycoside; jadomycin; organic heteropentacyclic compound | antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite |
tak-632 | [no description available] | medium | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor |
chondramide a | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
englerin a | [no description available] | low | 0 | 0 | cinnamate ester; glycolate ester; guaiane sesquiterpenoid | antineoplastic agent; metabolite |
lrrk2-in1 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
jq1 compound | [no description available] | low | 0 | 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 |
ML-210 | [no description available] | low | 0 | 0 | C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide | antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug |
eurycomanone | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol | antimalarial; antineoplastic agent; metabolite |
gilteritinib | [no description available] | low | 0 | 0 | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
alectinib | [no description available] | medium | 0 | 0 | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ML240 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound | antineoplastic agent |
torin 1 | [no description available] | low | 0 | 0 | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
abt-199 | [no description available] | low | 0 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
pracinostat | [no description available] | low | 0 | 0 | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
physalin f | [no description available] | low | 0 | 0 | enone; epoxy steroid; lactone; physalin | antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent |
xl765 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
DMH1 | [no description available] | low | 0 | 0 | aromatic ether; pyrazolopyrimidine; quinolines | antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor |
torin 2 | [no description available] | low | 0 | 0 | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
oligomycin a | [no description available] | low | 0 | 0 | antibiotic antifungal agent; diketone; oligomycin; pentol | antineoplastic agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; nematicide |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | [no description available] | low | 0 | 0 | aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas | antineoplastic agent; fibroblast growth factor receptor antagonist |
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid | antineoplastic agent; metabolite |
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid | antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist |
chir 98014 | [no description available] | low | 0 | 0 | aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator |
gsk2656157 | [no description available] | low | 0 | 0 | biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor |
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | [no description available] | low | 0 | 0 | acetamides; hydroxyindoles; tryptamines | antineoplastic agent; apoptosis inducer; plant metabolite |
coumermycin | [no description available] | low | 0 | 0 | aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles | antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor |
lfm a13 | [no description available] | medium | 0 | 0 | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
AZD3463 | [no description available] | low | 0 | 0 | aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
calicheamicin gamma(1)i | [no description available] | low | 0 | 0 | calicheamicin; enediyne antibiotic; organoiodine compound | antineoplastic agent; metabolite |
asperfuranone | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone | antineoplastic agent; fungal metabolite |
ceritinib | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pelabresib | [no description available] | low | 0 | 0 | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
MK-8353 | [no description available] | medium | 0 | 0 | aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
gsk2879552 | [no description available] | low | 0 | 0 | benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
ssr128129e | [no description available] | low | 0 | 0 | organic sodium salt | antineoplastic agent; fibroblast growth factor receptor antagonist |
aspergillide a | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
capilliposide b | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin | antineoplastic agent; plant metabolite |
brasilicardin a | [no description available] | low | 0 | 0 | benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols | antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent |
surfactin A | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant |
acp-196 | [no description available] | medium | 0 | 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 | 0 | 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 |
myriaporone 3 | [no description available] | low | 0 | 0 | beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol | antineoplastic agent; metabolite |
GSK1059615 | [no description available] | low | 0 | 0 | pyridines; quinolines; thiazolidinone | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
osimertinib | [no description available] | medium | 0 | 0 | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
ivosidenib | [no description available] | medium | 0 | 0 | cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
phleomycin d1 | [no description available] | low | 0 | 0 | bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite |
ly3009120 | [no description available] | low | 0 | 0 | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
pf-06463922 | [no description available] | medium | 0 | 0 | aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
as 1842856 | [no description available] | low | 0 | 0 | organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound | anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent |
physalin d | [no description available] | low | 0 | 0 | 5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin | antimalarial; antimycobacterial drug; antineoplastic agent |
acarbose | [no description available] | low | 0 | 0 | chondramide; indoles; organochlorine compound; phenols | antineoplastic agent; bacterial metabolite |
sr9243 | [no description available] | low | 0 | 0 | bromobenzenes; sulfonamide; sulfone | antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist |
CCT251545 | [no description available] | low | 0 | 0 | azaspiro compound; chloropyridine; pyrazoles | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor |
ldc4297 | [no description available] | low | 0 | 0 | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
hg-9-91-01 | [no description available] | low | 0 | 0 | aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound | antineoplastic agent; salt-inducible kinase 2 inhibitor |
cigb-300 | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; polypeptide | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
chondramide d | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
bassianolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; cyclooctadepsipeptide | antineoplastic agent; fungal metabolite; insecticide |
enasidenib | [no description available] | low | 0 | 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 |
BDA-366 | [no description available] | low | 0 | 0 | anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer |
ebc-46 | [no description available] | low | 0 | 0 | diester; diterpenoid; organic heteropentacyclic compound; phorbol ester | antineoplastic agent; plant metabolite; protein kinase C agonist |
THZ531 | [no description available] | medium | 0 | 0 | aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
can 508 | [no description available] | low | 0 | 0 | aromatic amine; monoazo compound; phenols; pyrazoles | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
levoleucovorin | [no description available] | low | 0 | 0 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
rifampin | [no description available] | low | 0 | 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 |
tirapazamine | [no description available] | low | 0 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
MMP-9-IN-1 | [no description available] | medium | 0 | 0 | aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor |
hydrazinocurcumin | [no description available] | low | 0 | 0 | aromatic ether; olefinic compound; polyphenol; pyrazoles | angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
9-arabinofuranosylguanine | [no description available] | low | 0 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor |
cerulomycin | [no description available] | low | 0 | 0 | aldoxime; aromatic ether; bipyridines; pyridine alkaloid | antineoplastic agent; bacterial metabolite; marine metabolite |
undecylprodigiosin | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; tripyrrole | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent |
ver 52296 | [no description available] | low | 0 | 0 | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | [no description available] | medium | 0 | 0 | hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor |
XL413 | [no description available] | low | 0 | 0 | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
pp242 | [no description available] | low | 0 | 0 | aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine | antineoplastic agent; mTOR inhibitor |
marineosin a | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
marineosin b | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
ARS-1620 | [no description available] | low | 0 | 0 | quinazolines | antineoplastic agent; antiviral agent; inhibitor |
sotorasib | [no description available] | low | 0 | 0 | acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide | antineoplastic agent |
pyrazinamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
uracil | [no description available] | low | 0 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
acemetacin | [no description available] | low | 0 | 0 | carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
amifostine anhydrous | [no description available] | low | 0 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
amodiaquine | [no description available] | low | 0 | 0 | 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 |
ampiroxicam | [no description available] | low | 0 | 0 | acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide | analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
chlorazepate | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
dipivefrin | [no description available] | low | 0 | 0 | ethanolamines; pivalate ester | adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent |
dipyrone | [no description available] | low | 0 | 0 | amino sulfonic acid; pyrazoles | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
brl 42810 | [no description available] | low | 0 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
flucytosine | [no description available] | medium | 0 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine depot | [no description available] | low | 0 | 0 | decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug |
loxoprofen | [no description available] | low | 0 | 0 | cyclopentanones; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
metronidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
midodrine | [no description available] | low | 0 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
nabumetone | [no description available] | low | 0 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nitroglycerin | [no description available] | low | 0 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
proglumetacin | [no description available] | low | 0 | 0 | aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
4-phenylbutyric acid, sodium salt | [no description available] | low | 0 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug |
suxibuzone | [no description available] | low | 0 | 0 | hemisuccinate; monocarboxylic acid; pyrazolidines | antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug |
tazarotene | [no description available] | low | 0 | 0 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
levodopa | [no description available] | low | 0 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
mestranol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
1,4-butanediol | [no description available] | low | 0 | 0 | butanediol; glycol | neurotoxin; prodrug; protic solvent |
psilocybin | [no description available] | low | 0 | 0 | organic phosphate; tertiary amino compound; tryptamine alkaloid | fungal metabolite; hallucinogen; prodrug; serotonergic agonist |
azaribine | [no description available] | low | 0 | 0 | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
diloxanide furoate | [no description available] | low | 0 | 0 | carboxylic ester; furans; organochlorine compound; tertiary carboxamide | antiamoebic agent; prodrug |
pn 401 | [no description available] | low | 0 | 0 | acetate ester; uridines | neuroprotective agent; orphan drug; prodrug |
beclomethasone dipropionate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester | anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug |
olsalazine | [no description available] | low | 0 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
carbimazole | [no description available] | low | 0 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
pivampicillin | [no description available] | low | 0 | 0 | penicillanic acid ester; pivaloyloxymethyl ester | prodrug |
bitolterol | [no description available] | low | 0 | 0 | carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug |
simvastatin | [no description available] | low | 0 | 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 |
bambuterol hydrochloride | [no description available] | low | 0 | 0 | carbamate ester; hydrochloride; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent |
bambuterol | [no description available] | low | 0 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
quinapril | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
cilazapril, anhydrous | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
lamivudine | [no description available] | medium | 0 | 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 |
adefovir dipivoxil | [no description available] | low | 0 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
oseltamivir | [no description available] | low | 0 | 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 |
lenampicillin | [no description available] | low | 0 | 0 | ketene acetal; penicillanic acid ester | prodrug |
droxicam | [no description available] | low | 0 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
talampicillin | [no description available] | low | 0 | 0 | penicillanic acid ester | prodrug |
benzoylmetronidazole | [no description available] | low | 0 | 0 | benzoate ester | antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; prodrug |
zofenopril | [no description available] | low | 0 | 0 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester | anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent |
droxidopa | [no description available] | low | 0 | 0 | catechols; L-tyrosine derivative | antihypertensive agent; prodrug; vasoconstrictor agent |
fingolimod hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
amdinocillin pivoxil | [no description available] | low | 0 | 0 | penicillanic acid ester; penicillin; pivaloyloxymethyl ester | antibacterial drug; antiinfective agent; prodrug |
parecoxib | [no description available] | low | 0 | 0 | isoxazoles; N-sulfonylcarboxamide | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
cefotiam hexetil | [no description available] | low | 0 | 0 | carboxylic ester | prodrug |
fosamprenavir | [no description available] | low | 0 | 0 | sulfonamide | prodrug |
nepafenac | [no description available] | low | 0 | 0 | monocarboxylic acid amide | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
clorazepate dipotassium | [no description available] | low | 0 | 0 | potassium salt | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
dabigatran etexilate | [no description available] | low | 0 | 0 | aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug |
fosfluconazole | [no description available] | low | 0 | 0 | conazole antifungal drug; triazole antifungal drug; triazoles | prodrug |
2-hydroxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
salicin | [no description available] | low | 0 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
bacampicillin | [no description available] | low | 0 | 0 | penicillanic acid ester | prodrug |
dipyrone | [no description available] | low | 0 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
ethionamide | [no description available] | low | 0 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
mycophenolate mofetil | [no description available] | low | 0 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
uf 021 | [no description available] | low | 0 | 0 | isopropyl ester; ketone; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; prodrug |
travoprost | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist |
codeine | [no description available] | low | 0 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
latanoprost | [no description available] | low | 0 | 0 | isopropyl ester; prostaglandins Falpha; triol | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug |
spirapril | [no description available] | low | 0 | 0 | azaspiro compound; dicarboxylic acid monoester; dipeptide; dithioketal; ethyl ester; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
dextromethorphan | [no description available] | low | 0 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
benazepril | [no description available] | low | 0 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
ramipril | [no description available] | low | 0 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
enalapril maleate | [no description available] | low | 0 | 0 | maleate salt | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
enalapril | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
heroin | [no description available] | low | 0 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
imidapril | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
ximelagatran | [no description available] | medium | 0 | 0 | amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor |
trandolapril | [no description available] | low | 0 | 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 |
tenofovir disoproxil fumarate | [no description available] | low | 0 | 0 | fumarate salt | antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug |
cefditoren pivoxil | [no description available] | low | 0 | 0 | 1,3-thiazoles; cephams; oxime O-ether; pivaloyloxymethyl ester | antibacterial drug; prodrug |
dirithromycin | [no description available] | low | 0 | 0 | macrolide antibiotic | prodrug |
cefpodoxime proxetil | [no description available] | low | 0 | 0 | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
gs-7340 | [no description available] | low | 0 | 0 | 6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester | antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug |
ppi-0903 | [no description available] | low | 0 | 0 | 1,3-thiazoles; cephalosporin; iminium betaine; organic phosphoramidate; oxime O-ether; thiadiazoles | antibacterial drug; antimicrobial agent; prodrug |
fluticasone furoate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester | anti-allergic agent; anti-asthmatic drug; prodrug |
naproxen-n-butyl nitrate | [no description available] | low | 0 | 0 | carboxylic ester; methoxynaphthalene; nitrate ester | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
varespladib methyl | [no description available] | low | 0 | 0 | aromatic ether; benzenes; indoles; methyl ester; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug |
selexipag | [no description available] | low | 0 | 0 | aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound | orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent |
penamecillin | [no description available] | low | 0 | 0 | penicillanic acid ester; semisynthetic derivative | antibacterial drug; prodrug |
etc-1002 | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; prodrug |
tedizolid phosphate | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles | antimicrobial agent; prodrug; protein synthesis inhibitor |
brl 15572 | [no description available] | low | 0 | 0 | hydrochloride | prodrug; serotonergic antagonist |
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide | [no description available] | low | 0 | 0 | hydrobromide | dopamine agonist; prodrug |
sk&f 77434 | [no description available] | low | 0 | 0 | hydrobromide | dopamine agonist; prodrug |
methylprednisolone suleptanate | [no description available] | low | 0 | 0 | organic sodium salt | anti-asthmatic drug; anti-inflammatory agent; glucocorticoid receptor agonist; prodrug |
cefamandole nafate | [no description available] | low | 0 | 0 | organic sodium salt | antibacterial drug; prodrug |
sofosbuvir | [no description available] | low | 0 | 0 | isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester | antiviral drug; hepatitis C protease inhibitor; prodrug |
aripiprazole lauroxil | [no description available] | low | 0 | 0 | aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone | H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist |
cgs 12066b | [no description available] | low | 0 | 0 | maleate salt | prodrug; serotonergic agonist |
s 8932 | [no description available] | medium | 0 | 0 | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug |
tak 491 | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane | angiotensin receptor antagonist; antihypertensive agent; prodrug |
valganciclovir | [no description available] | low | 0 | 0 | L-valyl ester; purines | antiviral drug; prodrug |
fosaprepitant | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles | antiemetic; neurokinin-1 receptor antagonist; prodrug |
molnupiravir | [no description available] | medium | 0 | 0 | isopropyl ester; ketoxime; nucleoside analogue | anticoronaviral agent; antiviral drug; prodrug |
PF-07304814 | [no description available] | medium | 0 | 0 | aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug |
ciprofloxacin | [no description available] | low | 0 | 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 |
enoxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
nalidixic acid | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
norfloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
pipemidic acid | [no description available] | low | 0 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
piromidic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pyridopyrimidine; pyrrolidines; quinolone antibiotic; tertiary amino compound | antibacterial drug; DNA synthesis inhibitor |
idoxuridine | [no description available] | low | 0 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
pefloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone | antibacterial drug; antiinfective agent; DNA synthesis inhibitor |
adefovir | [no description available] | low | 0 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
tosufloxacin, 4-toluene sulfonate | [no description available] | low | 0 | 0 | racemate | antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; hepatotoxic agent; topoisomerase IV inhibitor |
levofloxacin | [no description available] | low | 0 | 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 |
u-47929 | [no description available] | low | 0 | 0 | alkaloid; aziridines; dipeptide; pyrrolidines | antibacterial agent; bacterial metabolite; DNA synthesis inhibitor |
t-2 toxin | [no description available] | low | 0 | 0 | acetate ester; organic heterotetracyclic compound; trichothecene | apoptosis inducer; cardiotoxic agent; DNA synthesis inhibitor; environmental contaminant; fungal metabolite; mycotoxin; neurotoxin |
sq 22536 | [no description available] | low | 0 | 0 | nucleoside analogue; oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor |
nsc 65346 | [no description available] | low | 0 | 0 | nucleoside analogue | protein kinase inhibitor |
emtricitabine | [no description available] | low | 0 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
triciribine | [no description available] | low | 0 | 0 | nucleoside analogue | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
oxetanocin a | [no description available] | low | 0 | 0 | diol; nucleoside analogue; oxetanes; primary alcohol | anti-HIV agent; antibacterial agent; bacterial metabolite |
cytidylyl-3',5'-adenosine | [no description available] | low | 0 | 0 | nucleoside analogue; purines | |
uridylyl-(3'-5')-adenosine | [no description available] | low | 0 | 0 | nucleoside analogue; purines | |
adenylyl-(2'-5')-uridine | [no description available] | low | 0 | 0 | nucleoside analogue; purines | |
2-methylthio-n-6-isopentenyladenosine | [no description available] | low | 0 | 0 | nucleoside analogue | |
n(4)-hydroxycytidine | [no description available] | low | 0 | 0 | ketoxime; nucleoside analogue | anticoronaviral agent; antiviral agent; drug metabolite; human xenobiotic metabolite |
tenofovir | [no description available] | low | 0 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
4-demethylwyosine | [no description available] | low | 0 | 0 | nucleoside analogue | |
2-thiouridine | [no description available] | low | 0 | 0 | nucleoside analogue; thiouridine | |
zeatin riboside | [no description available] | low | 0 | 0 | 9-ribosylzeatin; nucleoside analogue | cytokinin; plant metabolite |
fr 900848 | [no description available] | low | 0 | 0 | cyclopropanes; nucleoside analogue; olefinic compound; polyketide; secondary carboxamide | antifungal agent; bacterial metabolite |
2'-deoxyadenylyl-(3'-5')-2'-deoxyadenosine | [no description available] | low | 0 | 0 | nucleoside analogue; purines | |
wyosine | [no description available] | low | 0 | 0 | carbamate ester; methyl ester; nucleoside analogue | |
allopurinol riboside | [no description available] | low | 0 | 0 | nucleoside analogue | metabolite |
guanylyl-(3'-5')-guanosine | [no description available] | low | 0 | 0 | nucleoside analogue; purines | |
2'-deoxyguanylyl-(3'-5')-2'-deoxycytidine | [no description available] | low | 0 | 0 | nucleoside analogue; purines | |
guanine ribonucleotidyl-(3'-5')-adenosine | [no description available] | low | 0 | 0 | nucleoside analogue; purines | |
3-cyanopyridine | [no description available] | low | 0 | 0 | nitrile; pyridines | |
4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
bicalutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
verapamil | [no description available] | low | 0 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | low | 0 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
cimaterol | [no description available] | low | 0 | 0 | benzenes; nitrile | |
cimetidine | [no description available] | low | 0 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
citalopram | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
cypermethrin | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
dichlobanil | [no description available] | low | 0 | 0 | dichlorobenzene; nitrile | agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | low | 0 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
fipronil | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide | |
milrinone | [no description available] | low | 0 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
nilvadipine | [no description available] | low | 0 | 0 | dihydropyridine; isopropyl ester; methyl ester; nitrile | |
periciazine | [no description available] | low | 0 | 0 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
zaleplon | [no description available] | low | 0 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
systhane | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; triazoles | |
benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
chloroacetonitrile | [no description available] | low | 0 | 0 | nitrile | |
benzyl cyanide | [no description available] | low | 0 | 0 | benzenes; nitrile | animal metabolite; pheromone |
pirinitramide | [no description available] | low | 0 | 0 | nitrile | |
cyanamide | [no description available] | low | 0 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
dicyandiamido | [no description available] | low | 0 | 0 | guanidines; nitrile | curing agent; explosive; fertilizer; flame retardant; nitrification inhibitor |
ricinine | [no description available] | low | 0 | 0 | nitrile; pyridine alkaloid; pyridone | |
2-cyanophenol | [no description available] | low | 0 | 0 | benzenes; nitrile | |
1,3-dicyanobenzene | [no description available] | low | 0 | 0 | nitrile | |
diphenoxylate | [no description available] | low | 0 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal drug |
ioxynil | [no description available] | low | 0 | 0 | iodophenol; nitrile | environmental contaminant; herbicide; xenobiotic |
enbucrilate | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; nitrile | |
cyanophenphos | [no description available] | low | 0 | 0 | benzenes; nitrile | |
difenoxin | [no description available] | low | 0 | 0 | nitrile; piperidinemonocarboxylic acid; tertiary amine | antidiarrhoeal drug |
decamethrin | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
closantel | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
fluvalinate | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
bezitramide | [no description available] | low | 0 | 0 | nitrile | |
d 888 | [no description available] | low | 0 | 0 | aromatic ether; nitrile; tertiary amino compound | anti-arrhythmia drug; calcium channel blocker; vasodilator agent |
cyanopyrazine | [no description available] | low | 0 | 0 | nitrile; pyrazines | |
tetracyanoquinodimethane | [no description available] | low | 0 | 0 | alicyclic compound; nitrile; quinodimethane | |
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; triazoles | |
fludioxonil | [no description available] | low | 0 | 0 | benzodioxoles; nitrile; organofluorine compound; pyrroles | androgen antagonist; antifungal agrochemical; estrogen receptor agonist |
fenpiclonil | [no description available] | low | 0 | 0 | dichlorobenzene; nitrile; pyrroles | antifungal agrochemical |
chlorfenapyr | [no description available] | low | 0 | 0 | hemiaminal ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles | proacaricide; proinsecticide |
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile | [no description available] | low | 0 | 0 | dimethoxybenzene; nitrile; secondary amino compound | drug metabolite; marine xenobiotic metabolite |
2,3-bis(4-hydroxyphenyl)-propionitrile | [no description available] | low | 0 | 0 | nitrile; phenols | estrogen receptor agonist |
cyfluthrin | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester insecticide |
norverapamil | [no description available] | low | 0 | 0 | aromatic ether; nitrile; polyether; secondary amino compound | |
taxiphyllin | [no description available] | low | 0 | 0 | beta-D-glucoside; nitrile | |
thiacloprid | [no description available] | low | 0 | 0 | monochloropyridine; nitrile; thiazolidines | environmental contaminant; neonicotinoid insectide; xenobiotic |
febuxostat | [no description available] | low | 0 | 0 | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
3,4-epithiobutanenitrile | [no description available] | low | 0 | 0 | epithionitrile; nitrile; thiirane | |
dhurrin | [no description available] | low | 0 | 0 | beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative; nitrile | |
aminopotentidine | [no description available] | low | 0 | 0 | aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline | H2-receptor antagonist |
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; organobromine compound; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles | acaricide; antifouling biocide; insecticide |
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
prizes | [no description available] | low | 0 | 0 | carboxamidine; monochloropyridine; nitrile | environmental contaminant; neonicotinoid insectide; xenobiotic |
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
indole-3-acetonitrile | [no description available] | low | 0 | 0 | indoles; nitrile | auxin; human xenobiotic metabolite; plant hormone; plant metabolite |
Girgensonine | [no description available] | low | 0 | 0 | nitrile | |
diclazuril | [no description available] | low | 0 | 0 | nitrile | |
ravuconazole | [no description available] | low | 0 | 0 | 1,3-thiazoles; fluorobenzenes; nitrile; tertiary alcohol; triazoles | antifungal drug; antileishmanial agent; EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor |
mesoxalonitrile | [no description available] | low | 0 | 0 | alpha-ketonitrile; nitrile | |
3-[di(propan-2-yl)phosphorylmethyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
crotononitrile | [no description available] | low | 0 | 0 | nitrile | |
2,6-diamino-4-(1-phenylethyl)-4H-thiopyran-3,5-dicarbonitrile | [no description available] | low | 0 | 0 | nitrile; organosulfur heterocyclic compound | |
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile | [no description available] | low | 0 | 0 | nitrile; organic sulfide; organosulfur heterocyclic compound; oxaspiro compound | |
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone | [no description available] | low | 0 | 0 | bromophenol; nitrile; pyridone | |
4-(1H-imidazol-1-ylmethyl)benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile | [no description available] | low | 0 | 0 | monochlorobenzenes; nitrile; pyrimidone; triazoles | |
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile | [no description available] | low | 0 | 0 | nitrile | |
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
or 1259 | [no description available] | low | 0 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
azoxystrobin | [no description available] | low | 0 | 0 | aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic |
fipronil sulfone | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; pyrazoles; sulfone | marine xenobiotic metabolite |
4-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile | [no description available] | low | 0 | 0 | biphenyls; nitrile | |
nafadotride | [no description available] | low | 0 | 0 | aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound | dopaminergic antagonist |
entacapone | [no description available] | low | 0 | 0 | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
cyhalothrin | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile; pyridines | |
ag-490 | [no description available] | low | 0 | 0 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor |
alpha-cyano-4-hydroxycinnamic acid | [no description available] | low | 0 | 0 | monohydroxycinnamic acid; nitrile; phenols | MALDI matrix material |
bay 11-7082 | [no description available] | low | 0 | 0 | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
su 1498 | [no description available] | low | 0 | 0 | enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide | vascular endothelial growth factor receptor antagonist |
tyrphostin ag825 | [no description available] | low | 0 | 0 | aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide | epidermal growth factor receptor antagonist |
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile | [no description available] | low | 0 | 0 | nitrile | |
ekb 569 | [no description available] | low | 0 | 0 | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
rilpivirine | [no description available] | low | 0 | 0 | aminopyrimidine; nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor |
vilazodone | [no description available] | low | 0 | 0 | 1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile | antidepressant; serotonergic agonist; serotonin uptake inhibitor |
isavuconazole | [no description available] | low | 0 | 0 | 1,3-thiazoles; conazole antifungal drug; difluorobenzene; nitrile; tertiary alcohol; triazole antifungal drug | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor; orphan drug |
flonicamid | [no description available] | low | 0 | 0 | nitrile; organofluorine compound; pyridinecarboxamide | environmental contaminant; insecticide; xenobiotic |
cyazofamid | [no description available] | low | 0 | 0 | imidazole fungicide; imidazoles; nitrile; organochlorine compound; sulfamides; sulfonamide fungicide | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
perampanel | [no description available] | low | 0 | 0 | bipyridines; nitrile; pyridone | AMPA receptor antagonist; anticonvulsant |
tofacitinib | [no description available] | low | 0 | 0 | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | [no description available] | low | 0 | 0 | 1,3,4-oxadiazoles; benzamides; biphenyls; nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
ethaboxam | [no description available] | low | 0 | 0 | 1,3-thiazoles; aromatic amide; aromatic amine; nitrile; secondary amino compound; thiophenes | |
bms 477118 | [no description available] | low | 0 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
alogliptin | [no description available] | low | 0 | 0 | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
cyflumetofen | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; 2-methoxyethyl ester; beta-ketoester; nitrile | |
finafloxacin | [no description available] | low | 0 | 0 | cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound | antibacterial drug; antimicrobial agent |
cyantraniliprole | [no description available] | low | 0 | 0 | nitrile; organobromine compound; organochlorine compound; pyrazole insecticide; pyridines; secondary carboxamide | ryanodine receptor agonist |
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile) | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ketone; beta-diketone; cyclopropanes; nitrile; sulfone | agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide |
trelagliptin | [no description available] | low | 0 | 0 | benzenes; nitrile | |
sulfoxaflor | [no description available] | low | 0 | 0 | nitrile; organofluorine compound; pyridines; sulfoximide | |
cyenopyrafen | [no description available] | low | 0 | 0 | nitrile; pivalate ester; pyrazoles | agrochemical; proacaricide |
SL-327 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; enamine; nitrile; organic sulfide; primary amino compound; substituted aniline | EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor; neuroprotective agent |
baricitinib | [no description available] | low | 0 | 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 |
monepantel | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; aryl sulfide; nitrile; secondary carboxamide | anthelminthic drug; nematicide |
GS-441524 | [no description available] | low | 0 | 0 | aromatic amine; C-nucleoside; nitrile; pyrrolotriazine | anticoronaviral agent; antiviral agent; drug metabolite |
an2728 | [no description available] | low | 0 | 0 | aromatic ether; benzoxaborole; nitrile | antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor |
delgocitinib | [no description available] | low | 0 | 0 | azaspiro compound; N-acylazetidine; nitrile; pyrrolopyrimidine; tertiary amino compound; tertiary carboxamide | anti-inflammatory drug; antipsoriatic; antiseborrheic; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
teriflunomide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide | drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor |
GS-443902 | [no description available] | low | 0 | 0 | aromatic amine; C-nucleoside; nitrile; organic triphosphate; pyrrolotriazine | anticoronaviral agent; antiviral drug; drug metabolite |
AZ3451 | [no description available] | low | 0 | 0 | benzimidazoles; benzodioxoles; nitrile; organobromine compound; secondary carboxamide | anti-inflammatory agent; autophagy inducer; PAR2 negative allosteric modulator |
nirmatrelvir | [no description available] | low | 0 | 0 | azabicyclohexane; nitrile; organofluorine compound; pyrrolidin-2-ones; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
butoctamide succinate | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; hemisuccinate; secondary carboxamide | |
iodipamide | [no description available] | low | 0 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
nemonapride | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline | |
niclosamide | [no description available] | low | 0 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
pd168393 | [no description available] | low | 0 | 0 | acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline | epidermal growth factor receptor antagonist |
pilsicainide | [no description available] | low | 0 | 0 | organic heterobicyclic compound; secondary carboxamide | anti-arrhythmia drug; sodium channel blocker |
opc 12759 | [no description available] | low | 0 | 0 | secondary carboxamide | |
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid | [no description available] | low | 0 | 0 | amidobenzoic acid; cinnamamides; secondary carboxamide | |
acedapsone | [no description available] | low | 0 | 0 | acetamides; anilide; secondary carboxamide; sulfone | antimalarial; antimicrobial drug |
salicylurate | [no description available] | low | 0 | 0 | N-acylglycine; secondary carboxamide | human xenobiotic metabolite; uremic toxin |
monoacetyldapsone | [no description available] | low | 0 | 0 | acetamides; anilide; secondary carboxamide; sulfone | |
n-methylolacrylamide | [no description available] | low | 0 | 0 | secondary carboxamide | |
win 18446 | [no description available] | low | 0 | 0 | organochlorine compound; secondary carboxamide | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
carboxin | [no description available] | low | 0 | 0 | anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
tromantadine | [no description available] | low | 0 | 0 | secondary carboxamide | |
aureothricin | [no description available] | low | 0 | 0 | dithiolopyrrolone antibiotic; secondary carboxamide | angiogenesis inhibitor; antibacterial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor |
morphazinamide | [no description available] | low | 0 | 0 | morpholines; pyrazines; secondary carboxamide | |
amperozide | [no description available] | low | 0 | 0 | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
n-acetyltryptophanamide | [no description available] | low | 0 | 0 | acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide | |
gamma-glutamyltyrosine | [no description available] | low | 0 | 0 | dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide | human metabolite |
n-acetyldopamine | [no description available] | low | 0 | 0 | acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide | human urinary metabolite; marine metabolite |
n-acetylcytidine | [no description available] | low | 0 | 0 | acetamides; cytidines; secondary carboxamide | metabolite |
florfenicol | [no description available] | low | 0 | 0 | organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone | antimicrobial agent |
n-(3-oxohexanoyl)-3-aminodihydro-2(3h)-furanone | [no description available] | low | 0 | 0 | N-acyl homoserine lactone; secondary carboxamide | |
mosapride | [no description available] | low | 0 | 0 | aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound | |
benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone | [no description available] | low | 0 | 0 | carboxylic ester; diazo compound; L-phenylalanine derivative; secondary carboxamide | cathepsin L (EC 3.4.22.15) inhibitor |
yh 439 | [no description available] | low | 0 | 0 | aromatic amide; isopropyl ester; secondary carboxamide | |
sceptrin | [no description available] | low | 0 | 0 | pyrroles; secondary carboxamide | |
n(beta)-alanyldopamine | [no description available] | low | 0 | 0 | catechols; primary amino compound; secondary carboxamide | |
monoacetylcadaverine | [no description available] | low | 0 | 0 | acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide | human metabolite |
N-(1-phenylethyl)acetamide | [no description available] | low | 0 | 0 | acetamides; secondary carboxamide | |
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide | [no description available] | low | 0 | 0 | indoles; secondary carboxamide; trifluoroacetamide | |
xv 638 | [no description available] | low | 0 | 0 | 1,3-thiazoles; benzamides; diazepanone; diol; secondary alcohol; secondary carboxamide; ureas | HIV protease inhibitor |
vibriobactin | [no description available] | low | 0 | 0 | 1,3-oxazoles; secondary carboxamide | siderophore |
bms 195614 | [no description available] | low | 0 | 0 | benzoic acids; quinolines; secondary carboxamide | retinoic acid receptor alpha antagonist |
tempace | [no description available] | low | 0 | 0 | aminoxyls; piperidinecarboxamide; secondary carboxamide | radiation protective agent; radical scavenger |
dimethyloxalylglycine | [no description available] | low | 0 | 0 | glycine derivative; methyl ester; secondary carboxamide | EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor; neuroprotective agent |
3-methyl-2-[[oxo-(4-pentoxyphenyl)methyl]amino]butanoic acid | [no description available] | low | 0 | 0 | secondary carboxamide | |
cinromide | [no description available] | low | 0 | 0 | cinnamamides; secondary carboxamide | |
4-[[2-furanyl(oxo)methyl]amino]benzoic acid propan-2-yl ester | [no description available] | low | 0 | 0 | aromatic amide; furans; isopropyl ester; secondary carboxamide | |
2,2,2-trifluoro-N-(2-methyl-8-quinolinyl)acetamide | [no description available] | low | 0 | 0 | quinolines; secondary carboxamide; trifluoroacetamide | |
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide | [no description available] | low | 0 | 0 | primary carboxamide; pyrazines; secondary carboxamide | |
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester | [no description available] | low | 0 | 0 | aromatic amide; isopropyl ester; secondary carboxamide; thiophenes | |
N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-2-pyrazinecarboxamide | [no description available] | low | 0 | 0 | pyrazines; secondary carboxamide | |
4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester | [no description available] | low | 0 | 0 | aromatic amide; isopropyl ester; secondary carboxamide | |
(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester | [no description available] | low | 0 | 0 | secondary carboxamide | |
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide | [no description available] | low | 0 | 0 | secondary carboxamide | |
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | [no description available] | low | 0 | 0 | morpholines; pyrimidone; secondary carboxamide; tertiary amino compound | |
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide | [no description available] | low | 0 | 0 | monochlorobenzenes; pyrimidone; secondary carboxamide | |
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide | [no description available] | low | 0 | 0 | secondary carboxamide | |
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide | [no description available] | low | 0 | 0 | pyrazoles; secondary carboxamide; trifluoroacetamide | |
N-(2-anilino-2-oxoethyl)-2-methoxybenzamide | [no description available] | low | 0 | 0 | secondary carboxamide | |
N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamide | [no description available] | low | 0 | 0 | pyrazines; secondary carboxamide | |
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester | [no description available] | low | 0 | 0 | secondary carboxamide | |
n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide | [no description available] | low | 0 | 0 | aminoxyls; organoiodine compound; piperidinecarboxamide; secondary carboxamide | radical scavenger; spin label |
ANA-12 | [no description available] | low | 0 | 0 | 1-benzothiophenes; caprolactams; secondary carboxamide | antidepressant; anxiolytic drug; tropomyosin-related kinase B receptor antagonist |
N-([biphenyl]-2-yl)-3-cyclopentylpropanamide | [no description available] | low | 0 | 0 | biphenyls; cyclopentanes; secondary carboxamide | |
sr 144528 | [no description available] | low | 0 | 0 | bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide | CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor |
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide | [no description available] | low | 0 | 0 | benzodioxoles; pyridines; secondary carboxamide; tertiary carboxamide; trifluoroacetamide | |
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide | [no description available] | low | 0 | 0 | secondary carboxamide; tertiary carboxamide; thiophenes; trifluoroacetamide | |
ML162 | [no description available] | low | 0 | 0 | monochlorobenzenes; monomethoxybenzene; organochlorine compound; secondary carboxamide; tertiary carboxamide; thiophenes | EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer |
N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide | [no description available] | low | 0 | 0 | C-nitro compound; secondary carboxamide; tertiary carboxamide; trifluoroacetamide | |
2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester | [no description available] | low | 0 | 0 | dimethoxybenzene; isopropyl ester; secondary carboxamide | |
fagaramide | [no description available] | low | 0 | 0 | cinnamamides; secondary carboxamide | |
arachidonyl dopamine | [no description available] | low | 0 | 0 | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | |
n-oleoyldopamine | [no description available] | low | 0 | 0 | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
arachidonyl-2-chloroethylamide | [no description available] | low | 0 | 0 | fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid | CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent |
l796778 | [no description available] | low | 0 | 0 | benzenes; C-nitro compound; L-lysine derivative; L-phenylalanine derivative; methyl ester; oligopeptide; secondary carboxamide; ureas | somatostatin receptor agonist |
l803087 | [no description available] | low | 0 | 0 | benzenes; fluoroindole; guanidines; L-arginine derivative; methyl ester; phenylindole; secondary carboxamide | somatostatin receptor agonist |
n-cinnamoyltyramine | [no description available] | low | 0 | 0 | cinnamamides; phenols; secondary carboxamide | allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor |
4-amylcinnamoylanthranilic acid | [no description available] | low | 0 | 0 | amidobenzoic acid; cinnamamides; secondary carboxamide | EC 3.1.1.4 (phospholipase A2) inhibitor; TRP channel blocker |
pipercallosidine | [no description available] | low | 0 | 0 | alkaloid; benzodioxoles; enamide; secondary carboxamide | apoptosis inducer; metabolite; plant metabolite |
streptogramin a | [no description available] | low | 0 | 0 | 1,3-oxazoles; cyclic ketone; enamide; lactam; macrolide antibiotic; macrolide; pyrroline; secondary alcohol; secondary carboxamide; tertiary carboxamide | antibacterial drug; Mycoplasma genitalium metabolite |
cinanserin | [no description available] | low | 0 | 0 | aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound | anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
pepstatin | [no description available] | low | 0 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; secondary carboxamide | |
salubrinal | [no description available] | low | 0 | 0 | aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas | |
DPI2 | [no description available] | low | 0 | 0 | benzenes; morpholines; secondary carboxamide; tertiary amino compound; thiazolidinone | ferroptosis inducer |
n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide | plant metabolite |
oroidin | [no description available] | low | 0 | 0 | pyrroles; secondary carboxamide | metabolite |
ro 42-5892 | [no description available] | low | 0 | 0 | cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone | antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent |
s 1006 | [no description available] | low | 0 | 0 | 1,3-thiazoles; carbamate ester; carboxylic acid; cephalosporin; enamide; secondary carboxamide | antibacterial drug |
kalimantacin a | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide | antibacterial agent; antimicrobial agent; bacterial metabolite |
l 779976 | [no description available] | low | 0 | 0 | benzimidazoles; indoles; piperidinecarboxamide; primary amino compound; secondary carboxamide | neuroprotective agent; somatostatin receptor agonist |
ustiloxin b | [no description available] | low | 0 | 0 | aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide | Aspergillus metabolite; microtubule-destabilising agent; mycotoxin |
dysidenin | [no description available] | low | 0 | 0 | 1,3-thiazoles; organochlorine compound; secondary carboxamide; tertiary carboxamide | animal metabolite; marine metabolite; toxin |
betrixaban | [no description available] | low | 0 | 0 | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
n-benzylhexadecanamide | [no description available] | low | 0 | 0 | macamide; secondary carboxamide | EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite |
chlorantranilipole | [no description available] | low | 0 | 0 | monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide | ryanodine receptor agonist |
cenicriviroc | [no description available] | low | 0 | 0 | aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide | anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist |
MI-63 | [no description available] | low | 0 | 0 | azaspiro compound; monochlorobenzenes; monofluorobenzenes; morpholines; oxindoles; pyrrolidines; secondary carboxamide | apoptosis inducer |
PF-00835231 | [no description available] | low | 0 | 0 | aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
VPC 23019 | [no description available] | low | 0 | 0 | aromatic amide; D-serine derivative; organic phosphate; phosphoric ester; secondary carboxamide | sphingosine-1-phosphate receptor 1 antagonist; sphingosine-1-phosphate receptor 3 antagonist |
pd 0348292 | [no description available] | low | 0 | 0 | monochlorobenzenes; monofluorobenzenes; pyridone; pyrrolidines; secondary carboxamide; ureas | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; serine protease inhibitor |
narlaprevir | [no description available] | low | 0 | 0 | azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas | anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor |
tosedostat | [no description available] | low | 0 | 0 | carboxylic ester; hydroxamic acid; secondary carboxamide | |
4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide | [no description available] | low | 0 | 0 | secondary carboxamide | |
CDN1163 | [no description available] | low | 0 | 0 | aromatic ether; quinolines; secondary carboxamide | SERCA activator |
(2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester | [no description available] | low | 0 | 0 | secondary carboxamide; tert-butyl ester | |
(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester | [no description available] | low | 0 | 0 | secondary carboxamide; tert-butyl ester; tertiary carboxamide | |
(2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide | [no description available] | low | 0 | 0 | secondary carboxamide | |
sid 26681509 | [no description available] | low | 0 | 0 | carbohydrazide; L-tryptophan derivative; secondary carboxamide; tert-butyl ester; thioester | antiplasmodial drug; cathepsin L (EC 3.4.22.15) inhibitor |
azd 7545 | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent |
GRL-0617 | [no description available] | low | 0 | 0 | benzamides; naphthalenes; secondary carboxamide; substituted aniline | anticoronaviral agent; protease inhibitor |
KOM70144 | [no description available] | low | 0 | 0 | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
ulixacaltamide | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide | non-narcotic analgesic; T-type calcium channel blocker |
lgk974 | [no description available] | low | 0 | 0 | bipyridines; pyrazines; pyridines; secondary carboxamide | Wnt signalling inhibitor |
gsk-5498a | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; difluorobenzene; pyrazoles; secondary carboxamide | calcium channel blocker |
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes | |
raltegravir | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor |
gsk1265744 | [no description available] | low | 0 | 0 | difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide | HIV-1 integrase inhibitor |
dolutegravir | [no description available] | low | 0 | 0 | difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide | HIV-1 integrase inhibitor |
LimKi 3 | [no description available] | low | 0 | 0 | 1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide | LIM kinase inhibitor |
atogepant | [no description available] | low | 0 | 0 | azaspiro compound; organic heterotetracyclic compound; piperidones; secondary carboxamide; trifluorobenzene | calcitonin gene-related peptide receptor antagonist |
DDR1-IN-1 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
bictegravir | [no description available] | low | 0 | 0 | monocarboxylic acid amide; organic heterotetracyclic compound; secondary carboxamide; trifluorobenzene | HIV-1 integrase inhibitor |
althiomycin | [no description available] | low | 0 | 0 | 1,3-thiazoles; aldoxime; ether; gamma-lactam; pentapeptide; peptide antibiotic; primary alcohol; pyrroline; secondary carboxamide; tertiary carboxamide | antibacterial agent; bacterial metabolite; protein synthesis inhibitor |
colibactin | [no description available] | low | 0 | 0 | 1,3-thiazoles; azaspiro compound; polyketide; pyrroline; secondary carboxamide | alkylating agent; carcinogenic agent; Escherichia coli metabolite; genotoxin |
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide | [no description available] | low | 0 | 0 | aldehyde; indolecarboxamide; oligopeptide; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | [no description available] | low | 0 | 0 | aldehyde; indolecarboxamide; monofluorobenzenes; oligopeptide; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |