Compounds > lupulon
Page last updated: 2024-09-23

lupulon

Description

lupulon: antibiotic from hops; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

lupulone : A beta-bitter acid in which the acyl group is specified as 3-methylbutanoyl. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

beta-bitter acid : An alicyclic ketone obtained by prenylation at positions 4, 6 and 6 of any 2-acylphloroglucinol. beta-bitter acids are well known for their contribution to the bitter taste of beer. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID68051
CHEMBL ID480267
CHEBI ID6574
SCHEMBL ID819253
SCHEMBL ID2431439
MeSH IDM0052026

Synonyms (39)

Synonym
3,5-dihydroxy-2,6,6-tris(3-methylbuten-2-yl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one
lupulon
b'' -acid
einecs 207-405-3
2,4-cyclohexadien-1-one, 3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)-
beta-bitter acid
3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
beta-lupulic acid
lupulone
468-28-0
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
FT-0650864
chebi:6574 ,
CHEMBL480267
b7425usg94 ,
unii-b7425usg94
2,4-cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-
AKOS015896772
lupulon [mi]
.beta.-bitter acid
.beta.-lupulic acid
SCHEMBL819253
hop beta-acid
SCHEMBL2431439
3,5-dihydroxy-4-(3-methylbutanoyl)-2,6,6-tris(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one #
2,4-cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-
3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
lupolon
DTXSID00875553
Q55939056
3,5-dihydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one
3,5-dihydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methylbutanoyl)cyclohexa-2,4-dienone
Q27107249
HY-124923
CS-0089577
gtpl12445
AKOS040744749
PD118550

Research Excerpts

Overview

ExcerptReference
"Lupulone is a compound extracted from Hops (Hurnulus lupulus), which exhibits a good antimicrobial activity against M."( Guo, N; Liang, J; Meng, R; Shi, Q; Tang, X; Wei, J; Yu, L; Yuan, P, 2014)

Treatment

ExcerptReference
"Lupulone treatment enhanced the expression of the anti-apoptotic Mcl-1 protein by 60% favoring the preservation of mitochondrial integrity."( Bousserouel, S; Gossé, F; Lamy, V; Lobstein, A; Minker, C; Raul, F, 2011)

Roles (4)

RoleDescription
antimicrobial agentA substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
apoptosis inducerAny substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
angiogenesis inhibitorAn agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agentA substance that inhibits or prevents the proliferation of neoplasms.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
beta-bitter acidAn alicyclic ketone obtained by prenylation at positions 4, 6 and 6 of any 2-acylphloroglucinol. beta-bitter acids are well known for their contribution to the bitter taste of beer.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Bioassays (6)

Assay IDTitleYearJournalArticle
AID376758Cytotoxicity against mouse RAW264.7 cells after 16 hrs by MTT assay2005Journal of natural products, Jan, Volume: 68, Issue:1
Prenylflavonoids and phloroglucinol derivatives from hops (Humulus lupulus).
AID376752Inhibition of LPS/IFN-gamma-induced NO production in mouse RAW264.7 cells after 16 hrs2005Journal of natural products, Jan, Volume: 68, Issue:1
Prenylflavonoids and phloroglucinol derivatives from hops (Humulus lupulus).
AID600520Antioxidant activity assessed as inhibition of lipid peroxidation2009Journal of natural products, Jun, Volume: 72, Issue:6
Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds.
AID600519Antioxidant activity assessed as DPPH radical scavenging activity2009Journal of natural products, Jun, Volume: 72, Issue:6
Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds.
AID376757Inhibition of LPS/IFN-gamma-induced NO production in mouse RAW264.7 cells at non cytotoxic concentration after 16 hrs2005Journal of natural products, Jan, Volume: 68, Issue:1
Prenylflavonoids and phloroglucinol derivatives from hops (Humulus lupulus).
AID600510Antiangiogenic activity in mouse at 0.01%, po for 21 days2009Journal of natural products, Jun, Volume: 72, Issue:6
Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (51)

TimeframeStudies, This Drug (%)All Drugs %
pre-199013 (25.49)18.7374
1990's1 (1.96)18.2507
2000's10 (19.61)29.6817
2010's24 (47.06)24.3611
2020's3 (5.88)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (3.85%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other50 (96.15%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
xanthohumol[no description available]medium80aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
dihydroxanthohumol[no description available]medium10aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
indomethacin[no description available]medium10aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
colupulone[no description available]medium50beta-bitter acid
alpha bitter acid[no description available]medium170aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite
phloroglucinol[no description available]medium30benzenetriol;
phenolic donor		algal metabolite
tiletamine hydrochloride[no description available]medium40
chitosan[no description available]medium10
triphosphoric acid[no description available]medium10acyclic phosphorus acid anhydride;
phosphorus oxoacid
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
mevalonic acid[no description available]medium103,5-dihydroxy-3-methylpentanoic acid
methanol[no description available]medium10alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
8-prenylnaringenin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		plant metabolite;
platelet aggregation inhibitor
isoxanthohumol[no description available]medium10flavanones
ferulic acid[no description available]medium10ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
kaempferol[no description available]medium107-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
quercetin[no description available]medium107-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
4-hydroxyphenylethanol[no description available]medium10phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
phenylethyl alcohol[no description available]medium10benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
phytoestrogens[no description available]medium10
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone[no description available]medium10
naringenin[no description available]medium10(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
hyperforin[no description available]medium10
cytochrome c-t[no description available]medium10
propylene glycol[no description available]medium10glycol;
propane-1,2-diols		allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent
1,1-diphenyl-2-picrylhydrazyl[no description available]medium10
cohumulone[no description available]medium10secondary alpha-hydroxy ketone
1-hydroxyethyl radical[no description available]medium10organic anionhuman metabolite;
Saccharomyces cerevisiae metabolite
tetracycline[no description available]medium10
erythromycin[no description available]medium10cyclic ketone;
erythromycin
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
oxytetracycline, anhydrous[no description available]medium10
azoxymethane[no description available]medium10
ascorbic acid[no description available]medium10ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
ciprofloxacin[no description available]medium10aminoquinoline;
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
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
3-hydroxy-3-methylbutene[no description available]medium10olefinic compound;
tertiary alcohol		animal metabolite;
fragrance;
pheromone;
plant metabolite
n-pentanol[no description available]medium10pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite
citric acid, anhydrous[no description available]low00tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
fosmidomycin[no description available]low00hydroxamic acid;
phosphonic acids		antimicrobial agent;
bacterial metabolite;
EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
chlorocresol[no description available]low00hydroxytoluene;
monochlorobenzenes		antimicrobial agent;
disinfectant;
ryanodine receptor agonist
bromodiphenhydramine[no description available]low00organobromine compound;
tertiary amino compound		antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist
clioquinol[no description available]low00monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
embelin[no description available]low00dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
lomefloxacin[no description available]low00fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
metronidazole[no description available]low00C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
nalidixic acid[no description available]low001,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
oxolinic acid[no description available]low00aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
oxyphenbutazone[no description available]low00phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
patulin[no description available]low00furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
sulfadiazine[no description available]low00pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
streptonigrin[no description available]low00pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
sulfacetamide[no description available]low00N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfadimethoxine[no description available]low00aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamethazine[no description available]low00pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethizole[no description available]low00sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole[no description available]low00isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
gatifloxacin[no description available]low00N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
chloramphenicol[no description available]low00C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
allyl isothiocyanate[no description available]low00alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite
cephalothin[no description available]low00azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
methylene blue[no description available]low00organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer
linalool[no description available]low00monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
propylparaben[no description available]low00benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
alpha phellandrene[no description available]low00cyclohexadiene;
phellandrene		antimicrobial agent;
plant metabolite;
volatile oil component
triclocarban[no description available]low00dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
liriodenine[no description available]low00alkaloid 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
carvacrol[no description available]low00botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols		agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
hadacidin[no description available]low00aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
sulfamoxole[no description available]low00oxazole;
sulfonamide antibiotic;
sulfonamide		antimicrobial agent;
drug allergen
vancomycin[no description available]low00glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
spectinomycin[no description available]low00cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
2-methoxy-1,4-naphthoquinone[no description available]low001,4-naphthoquinones;
enol ether		antimicrobial agent;
metabolite;
plant metabolite
pentadecanal[no description available]low002,3-saturated fatty aldehyde;
long-chain fatty aldehyde		antimicrobial agent;
plant metabolite;
volatile oil component
1-octen-3-ol[no description available]low00alkenyl alcohol;
medium-chain fatty alcohol		antimicrobial agent;
fungal metabolite;
insect attractant;
volatile oil component
cephaloglycin[no description available]low00beta-lactam antibiotic allergen;
cephalosporin		antimicrobial agent
nitroxoline[no description available]low00C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent
mitomycin a[no description available]low00ether;
mitomycin		alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin
thiamphenicol[no description available]low00monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
streptozocin[no description available]low00N-acylglucosamine;
N-nitrosoureas		antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite
ribostamycin[no description available]low00amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite
5-chloro-2-methyl-4-isothiazolin-3-one[no description available]low001,2-thiazoles;
organochlorine compound		antimicrobial agent;
environmental contaminant;
xenobiotic
nigericin[no description available]low00polycyclic etherantibacterial agent;
antimicrobial agent;
bacterial metabolite;
potassium ionophore
amikacin[no description available]low00alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
imidazolidinyl urea[no description available]low00ureasantimicrobial agent
2-methyl-4-isothiazolin-3-one[no description available]low001,2-thiazolesantifouling biocide;
antifungal agent;
antimicrobial agent
epirubicin[no description available]low00aminoglycoside;
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
spectinomycin dihydrochloride[no description available]low00hydrochlorideantibacterial drug;
antimicrobial agent
propamidine[no description available]low00aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
hexamidine[no description available]low00aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
sinefungin[no description available]low00adenosines;
non-proteinogenic alpha-amino acid		antifungal agent;
antimicrobial agent
propamidine isethionate[no description available]low00guanidinium salt;
organosulfonate salt		antimicrobial agent;
antiseptic drug
lomefloxacin hydrochloride[no description available]low00hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
arbekacin[no description available]low00aminoglycoside;
kanamycins		antibacterial agent;
antibacterial drug;
antimicrobial agent;
protein synthesis inhibitor
enrofloxacin[no description available]low00cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent
vexibinol[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone		antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite
furanomycin[no description available]low00dihydrofuran;
non-proteinogenic L-alpha-amino acid		antibacterial agent;
antimicrobial agent;
bacterial metabolite
benzoylmetronidazole[no description available]low00benzoate esterantibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
prodrug
primin[no description available]low001,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite
tosufloxacin, 4-toluene sulfonate[no description available]low00racemateantiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
hepatotoxic agent;
topoisomerase IV inhibitor
1-phenazinecarboxylic acid[no description available]low00aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite
florfenicol[no description available]low00organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone		antimicrobial agent
cubebin[no description available]low00benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol		analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug
olivomycin a[no description available]low00olivomycin;
secondary alpha-hydroxy ketone		antimicrobial agent
tazobactam[no description available]low00penicillanic acids;
triazoles		antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
ay 25545[no description available]low00acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
3,3'-neotrehalosadiamine[no description available]low00amino disaccharide;
glycosyl glycoside derivative		antimicrobial agent;
metabolite
aclacinomycin[no description available]low00aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite
i-677[no description available]low00L-serine derivative;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite
pannarin[no description available]low00aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite
sclareol[no description available]low00labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite
enniatin b[no description available]low00enniatinantimicrobial agent
bisdechlorogeodin[no description available]low001-benzofurans;
cyclohexadiene;
methyl ester;
oxaspiro compound		antimicrobial agent
ml 236a[no description available]low002-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antiatherosclerotic agent;
anticholesteremic drug;
antilipemic drug;
antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite
chloroorienticin b[no description available]low00cyclic ether;
glycopeptide;
heterodetic cyclic peptide;
monosaccharide derivative;
organochlorine compound;
polyphenol		antimicrobial agent;
bacterial metabolite
fumagillol[no description available]low00secondary alcohol;
sesquiterpenoid;
spiro-epoxide		antimicrobial agent
anisomycin[no description available]low00monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
acivicin[no description available]low00isoxazoles;
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
puromycin[no description available]low00puromycinsantiinfective 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
silver sulfadiazine[no description available]low00pyrimidines;
silver salt;
sulfonamidate		antibacterial drug;
antimicrobial agent
mycophenolic acid[no description available]low002-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
fosfomycin[no description available]low00epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
aclarubicin[no description available]low00aminoglycoside;
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
aphidicolin[no description available]low00tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite
azaserine[no description available]low00carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
antofine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
cannabidiol[no description available]low00olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
lincomycin[no description available]low00carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
valinomycin[no description available]low00cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
sf 2370[no description available]low00bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound		antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist
chuangxinmycin[no description available]low00indole alkaloid;
monocarboxylic acid;
thiinoindole		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
telavancin[no description available]low00glycopeptideantibacterial drug;
antimicrobial agent
apramycin[no description available]low002-deoxystreptamine derivative;
aminoglycoside;
organic heterobicyclic compound		antibacterial drug;
antimicrobial agent
fraxetin[no description available]low00aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent
quercetin 3-o-methyl ether[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		antimicrobial agent;
metabolite
galangin[no description available]low007-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
mangostin[no description available]low00aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
maytansine[no description available]low00alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator
cerulenin[no description available]low00epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
acetylspiramycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
ly 163892[no description available]low00carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
geldanamycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
herbimycin[no description available]low001,4-benzoquinones;
lactam;
macrocycle		antimicrobial agent;
apoptosis inducer;
herbicide;
Hsp90 inhibitor;
tyrosine kinase inhibitor
n-cinnamoyltyramine[no description available]low00cinnamamides;
phenols;
secondary carboxamide		allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor
reumycin[no description available]low00carbonyl compound;
pyrimidotriazine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
bialaphos[no description available]low00phosphinic acids;
tripeptide		antimicrobial agent;
bacterial metabolite
rifamycin sv[no description available]low00acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite
mastoparan[no description available]low00mastoparans;
peptidyl amide		antimicrobial agent
sulfacetamide sodium[no description available]low00hydrate;
organic sodium salt		antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
rifaximin[no description available]low00acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug
germacrone[no description available]low00germacrane 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
piericidin a[no description available]low00aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol		antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor
manumycin[no description available]low00enamide;
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]low00alpha-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
demycarosylturimycin h[no description available]low00aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
asukamycin[no description available]low00enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite
kalimantacin a[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
carbamate ester;
fatty acid derivative;
secondary carboxamide		antibacterial agent;
antimicrobial agent;
bacterial metabolite
cefluprenam[no description available]low00cephalosporin;
thiadiazoles		antimicrobial agent
platensimycin[no description available]low00aromatic amide;
cyclic ether;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor
fumagillin[no description available]low00antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor
gemifloxacin[no description available]low001,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
gemifloxacin mesylate[no description available]low00methanesulfonate saltantimicrobial agent;
topoisomerase IV inhibitor
avibactam[no description available]low00azabicycloalkane;
hydroxylamine O-sulfonic acid;
monocarboxylic acid amide;
ureas		antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
ppi-0903[no description available]low001,3-thiazoles;
cephalosporin;
iminium betaine;
organic phosphoramidate;
oxime O-ether;
thiadiazoles		antibacterial drug;
antimicrobial agent;
prodrug
tmc-95a[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor
topopyrone c[no description available]low00naphthochromene;
p-quinones;
phenols		antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite
monacolin j[no description available]low002-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite
nidulalin a[no description available]low00methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite
elloramycin[no description available]low00alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin		antimicrobial agent;
bacterial metabolite
arisugacin[no description available]low00aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
lactonamycin[no description available]low00gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite
tmc-95b[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor
fr 901464[no description available]low00acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
baci-im[no description available]low00homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
streptogramin b[no description available]low00cyclodepsipeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
tedizolid[no description available]low00carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles		antimicrobial agent;
drug metabolite;
protein synthesis inhibitor
tedizolid phosphate[no description available]low00carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles		antimicrobial agent;
prodrug;
protein synthesis inhibitor
32,33,34,35-bacteriohopanetetrol[no description available]low00hopanoid;
tetrol		antimicrobial agent;
bacterial metabolite;
lipoxygenase inhibitor
chir 090[no description available]low00acetylenic compound;
benzamides;
hydroxamic acid;
L-threonine derivative;
morpholines		antimicrobial agent;
EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor;
lipopolysaccharide biosynthesis inhibitor
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
physalin b[no description available]low00enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimicrobial agent;
antineoplastic agent
anticapsin[no description available]low00alicyclic 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
cytotrienin a[no description available]low00cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
complestatin[no description available]low00cyclic ether;
heterodetic cyclic peptide;
indoles;
organic heterobicyclic compound;
organochlorine compound;
peptide antibiotic;
polyphenol		anti-HIV-1 agent;
antimicrobial agent;
HIV-1 integrase inhibitor;
metabolite
dalbavancin[no description available]low00carbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
oritavancin[no description available]low00disaccharide derivative;
glycopeptide;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
thiazomycin[no description available]low00heterodetic cyclic peptideantibacterial agent;
antimicrobial agent;
bacterial metabolite
ristocetin[no description available]low00glycopeptide;
heterodetic cyclic peptide;
macrocycle;
tetrasaccharide derivative		antibacterial drug;
antimicrobial agent;
bacterial metabolite;
platelet-activating factor receptor agonist
platencin[no description available]low00aromatic amide;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor
respirantin[no description available]low00benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite
avilamycin a[no description available]low00benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone		antimicrobial agent;
bacterial metabolite
cathestatin b[no description available]low00dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite
tazobactam sodium[no description available]low00organic sodium saltantiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
clavulanate potassium[no description available]low00potassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefmetazole sodium[no description available]low00organic sodium saltantimicrobial agent
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
arenaemycin e[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
organic heterotricyclic compound;
sesquiterpene lactone;
spiro-epoxide		antimicrobial agent;
bacterial metabolite;
EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor
marinopyrrole a[no description available]low00aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite
nxl 104[no description available]low00organic sodium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
bacillaene[no description available]low00enamine;
monocarboxylic acid amide;
polyene antibiotic;
polyketide;
secondary alcohol		antibacterial agent;
antimicrobial agent;
bacterial metabolite
brartemicin[no description available]low00benzoate ester;
glycosyl glycoside derivative;
resorcinols		antimicrobial agent;
metabolite
muraymycin d2[no description available]low00zwitterionantimicrobial agent
roseoflavin[no description available]low00benzopteridineantimicrobial agent;
bacterial metabolite
coumermycin[no description available]low00aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor
novobiocin[no description available]low00carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
ilicicolin h[no description available]low00aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone		antimicrobial agent;
mitochondrial respiratory-chain inhibitor
streptolydigin[no description available]low00bridged compound;
cyclic ketal;
enol;
monocarboxylic acid amide;
N-glycosyl compound;
organic heterobicyclic compound;
pyrrolidinone;
spiro-epoxide		antimicrobial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor
vinylamycin[no description available]low00cyclodepsipeptide;
macrocycle;
primary alcohol		antibacterial agent;
antimicrobial agent;
metabolite
brasilicardin a[no description available]low00benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent
zorbamycin[no description available]low00glycopeptideantimicrobial agent;
bacterial metabolite
phleomycin d1[no description available]low00bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite
duramycin[no description available]low00heterodetic cyclic peptide;
macrocycle		antimicrobial agent;
apoptosis inducer;
bacterial metabolite
ceftobiprole[no description available]low00cephalosporin;
thiadiazoles		antimicrobial agent
pyrazofurin[no description available]low00C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
indolmycin[no description available]low001,3-oxazoles;
indoles;
secondary amino compound		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
streptothricin f[no description available]low00guanidinium ion;
primary aliphatic ammonium ion		antimicrobial agent
gallic acid[no description available]low00trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
5-(n,n-hexamethylene)amiloride[no description available]low00aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker
am 251[no description available]low00amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist
calmidazolium[no description available]low00imidazolium ionapoptosis inducer;
calmodulin antagonist
danthron[no description available]low00dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
disulfiram[no description available]low00organic 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
ebselen[no description available]low00benzoselenazoleanti-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
miltefosine[no description available]low00phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]low00benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
methyl methanesulfonate[no description available]low00methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
midazolam[no description available]low00imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
entinostat[no description available]low00benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
niclosamide[no description available]low00benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nortriptyline[no description available]low00organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
4-phenylbutyric acid[no description available]low00monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
oxophenylarsine[no description available]low00arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
pj-34[no description available]low00phenanthridines;
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
sb 202190[no description available]low00imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
imatinib[no description available]low00aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
vorinostat[no description available]low00dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine[no description available]low00N-substituted diamine;
pyridines;
tertiary amino compound		apoptosis inducer;
chelator;
copper chelator
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]low00aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
tributyrin[no description available]low00butyrate ester;
triglyceride		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent
diethyl sulfate[no description available]low00alkyl sulfatealkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen
n-nitrosopiperidine[no description available]low00nitrosamine;
piperidine		apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen
ziram[no description available]low00dithiocarbamate salt;
zinc molecular entity		antifungal agrochemical;
apoptosis inducer
diazooxonorleucine[no description available]low00amino 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
naphthazarin[no description available]low00hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
iberin[no description available]low00isothiocyanate;
sulfoxide		apoptosis inducer;
plant metabolite;
quorum sensing inhibitor
physcione[no description available]low00dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol[no description available]low00terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component
thallium acetate[no description available]low00acetate salt;
thallium molecular entity		apoptosis inducer;
neurotoxin
toyocamycin[no description available]low00antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
2-hydroxyacetanilide[no description available]low00acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
methyl isocyanate[no description available]low00isocyanatesallergen;
apoptosis inducer
methoxyacetic acid[no description available]low00ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
dibromoacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid		apoptosis inducer;
geroprotector;
marine metabolite
diallyl trisulfide[no description available]low00organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent
antimony trichloride[no description available]low00antimony molecular entity;
inorganic chloride		apoptosis inducer;
colorimetric reagent;
Lewis acid
tetradecanoylphorbol acetate[no description available]low00acetate 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
pyoluteorin[no description available]low00aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols		antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite
norsalsolinol[no description available]low00isoquinolinolanimal metabolite;
apoptosis inducer;
human metabolite;
marine metabolite
1-methyl-4-phenylpyridinium[no description available]low00pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
midazolam hydrochloride[no description available]low00hydrochloride;
imidazobenzodiazepine		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
staurosporine[no description available]low00indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
irinotecan[no description available]low00carbamate 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
mevastatin[no description available]low002-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
epigallocatechin gallate[no description available]low00flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
salvin[no description available]low00abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
tetraiodothyroacetic acid[no description available]low002-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone
toxoflavin[no description available]low00carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
alantolactone[no description available]low00naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
dehydrocostus lactone[no description available]low00gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug
isoalantolactone[no description available]low00eudesmane sesquiterpenoid;
sesquiterpene lactone		antifungal agent;
apoptosis inducer;
plant metabolite
brazilin[no description available]low00catechols;
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
tetrazolium violet[no description available]low00organic chloride saltantineoplastic agent;
apoptosis inducer;
dye
irinotecan hydrochloride[no description available]low00hydrochlorideantineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
ethyl protocatechuate[no description available]low00catechols;
ethyl ester		antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite
fluazinam[no description available]low00(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
eupatorin[no description available]low00dihydroxyflavone;
polyphenol;
trimethoxyflavone		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent
atromentin[no description available]low00dihydroxy-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]low003beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite
sn 38[no description available]low00delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
deguelin[no description available]low00aromatic 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
cafestol[no description available]low00diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite
kahweol[no description available]low00diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
5-(tetradecyloxy)-2-furancarboxylic acid[no description available]low00aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist
tabtoxinine beta-lactam[no description available]low00beta-lactam antibiotic;
monobactam;
non-proteinogenic L-alpha-amino acid;
tertiary alpha-hydroxy ketone		apoptosis inducer;
bacterial metabolite;
EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor
dioscin[no description available]low00hexacyclic 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]low0012beta-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
imatinib mesylate[no description available]low00methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
27-hydroxycholesterol[no description available]low0026-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent
rubimaillin[no description available]low00benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite
cd 437[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
tempol[no description available]low00aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
tipifarnib[no description available]low00imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
actinodaphine[no description available]low00aporphine 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
anacardic acid[no description available]low00hydroxy monocarboxylic acid;
hydroxybenzoic acid		anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
pectolinarin[no description available]low00dimethoxyflavone;
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
withaferin a[no description available]low0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		antineoplastic agent;
apoptosis inducer
noscapine[no description available]low00aromatic 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]low00alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
elesclomol[no description available]low00carbohydrazide;
thiocarbonyl compound		antineoplastic agent;
apoptosis inducer
anthricin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes		antineoplastic agent;
apoptosis inducer;
plant metabolite
nsc 23766[no description available]low00aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
gant 61[no description available]low00aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
peonidin[no description available]low005-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite
helveticoside[no description available]low0014beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
ginsenoside rf[no description available]low0012beta-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
notoginsenoside r1[no description available]low0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antioxidant;
apoptosis inducer;
neuroprotective agent;
phytoestrogen;
plant metabolite
theasinensin a[no description available]low00biflavonoid;
gallate ester;
proanthocyanidin		anti-inflammatory agent;
anticoronaviral agent;
apoptosis inducer;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
melanin synthesis inhibitor;
plant metabolite
solasodine[no description available]low00alkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid		anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent
devazepide[no description available]low001,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
carubicin[no description available]low00aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones		antineoplastic agent;
apoptosis inducer
epothilone b[no description available]low00epothilone;
epoxide		antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent
bms 214662[no description available]low00benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
licocoumarone[no description available]low001-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
piperyline[no description available]low00benzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide		antifungal agent;
apoptosis inducer;
plant metabolite
rhapontin[no description available]low00rhaponticinangiogenesis 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
p-hydroxycinnamaldehyde[no description available]low00cinnamaldehydesapoptosis inducer;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
plant metabolite
calmidazolium[no description available]low00organic chloride saltapoptosis inducer;
calmodulin antagonist
amygdalin[no description available]low00amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
3,3',4,5'-tetrahydroxystilbene[no description available]low00catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
4-iodo-6-phenylpyrimidine[no description available]low00biaryl;
organoiodine compound;
pyrimidines		antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor
oncrasin-1[no description available]low00arenecarbaldehyde;
indoles;
monochlorobenzenes		antineoplastic agent;
apoptosis inducer
cct018159[no description available]low00benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
sulindac[no description available]low00monocarboxylic 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]low00coumarins;
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
10058-F4[no description available]low00olefinic compound;
thiazolidinone		antineoplastic agent;
apoptosis inducer
u 0126[no description available]low00aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
bms 387032[no description available]low001,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
vx-745[no description available]low00aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
bigelovin[no description available]low00acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione[no description available]low00benzenes;
thiadiazolidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
sb 415286[no description available]low00C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
sc 560[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
alsterpaullone[no description available]low00C-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
luteolin[no description available]low003'-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
herbacetin[no description available]low007-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
oleuropein[no description available]low00beta-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
baicalein[no description available]low00trihydroxyflavoneangiogenesis 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
diosmetin[no description available]low003'-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
hispidulin[no description available]low00monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
pterostilbene[no description available]low00diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
wedelolactone[no description available]low00aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite
rottlerin[no description available]low00aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
plaunotol[no description available]low00diterpenoid;
primary alcohol		anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary
tocotrienol, beta[no description available]low00tocotrienol;
vitamin E		antineoplastic agent;
apoptosis inducer;
plant metabolite
gamma-tocotrienol[no description available]low00tocotrienol;
vitamin E		antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent
tocotrienol, delta[no description available]low00tocotrienol;
vitamin E		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite
9,11-linoleic acid[no description available]low00octadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite
2,4-decadienal[no description available]low00polyunsaturated fatty aldehydeapoptosis inducer;
nematicide
natamycin[no description available]low00antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
t-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin
alvocidib[no description available]low00dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
ro 41-5253[no description available]low00aromatic ether;
benzoic acids;
sulfone;
thiochromane		apoptosis inducer;
retinoic acid receptor alpha antagonist
casticin[no description available]low00dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite
3,3'-di-o-methylquercetin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
oridonin[no description available]low00cyclic 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]low00biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ag-490[no description available]low00catechols;
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
mitoguazone[no description available]low00guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
ermanin[no description available]low00dihydroxyflavone;
dimethoxyflavone		anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite
sulindac sulfide[no description available]low00aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
bay 11-7082[no description available]low00nitrile;
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
bay 11-7085[no description available]low00benzenes;
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
flavokawain b[no description available]low00chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
pipercallosidine[no description available]low00alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite
jaceosidin[no description available]low00dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite
cisplatin[no description available]low00diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
sulindac sulfone[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
lespenefril[no description available]low00alpha-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]low00glycosyloxyflavoneanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one[no description available]low00enone;
pyridines		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor
coronardine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
bafilomycin a1[no description available]low00cyclic hemiketal;
macrolide antibiotic;
oxanes		apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin
columbianadin[no description available]low00alpha,beta-unsaturated carboxylic ester;
furanocoumarin		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
salvianolic acid B[no description available]low001-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
tanespimycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
soblidotin[no description available]low00tetrapeptideantineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
on 01910[no description available]low00N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent
alpha-solanine[no description available]low00glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
2-hydroxy-9-cis-octadecenoic acid[no description available]low002-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid		antihypertensive agent;
antineoplastic agent;
apoptosis inducer
dolastatin 10[no description available]low001,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent
jasplakinolide[no description available]low00cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent
mocetinostat[no description available]low00aminopyrimidine;
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
scio-469[no description available]low00aromatic 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
cp 724714[no description available]low002-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
hmr 1275[no description available]low00hydrochlorideantineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
ginsenoside f2[no description available]low0012beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
plant metabolite
ginsenoside rg3[no description available]low00ginsenoside;
glycoside;
tetracyclic triterpenoid		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
jte 607[no description available]low00hydrochlorideanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug
npi 2358[no description available]low002,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
NNC 55-0396 (free base)[no description available]low00benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
osu 03012[no description available]low00antibiotic 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]low00diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
avenanthramide b[no description available]low00amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin
HT-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
fungal metabolite
delphinidin 3-sambubioside[no description available]low00anthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite
bl1521[no description available]low00enamide;
hydroxamic acid;
monocarboxylic acid amide		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
binimetinib[no description available]low00benzimidazoles;
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]low006-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis 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]low00aromatic 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]low00aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
triptohypol C[no description available]low00benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite
PB28[no description available]low00aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
ym 155[no description available]low00organic bromide saltantineoplastic agent;
apoptosis inducer;
survivin suppressant
abt-737[no description available]low00aromatic 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]low00aromatic 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
rx-3117[no description available]low00organofluorine compound;
primary allylic alcohol;
triol		antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug
np 031112[no description available]low00benzenes;
naphthalenes;
thiadiazolidine		anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
laurinterol[no description available]low00organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
MI-63[no description available]low00azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide		apoptosis inducer
ki11502[no description available]low00aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
idelalisib[no description available]low00aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
ginsenoside rd[no description available]low00beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary
amrubicinol[no description available]low00diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes		antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor
forapin[no description available]low00peptidyl amide;
polypeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.13 (protein kinase C) inhibitor;
hepatoprotective agent;
neuroprotective agent;
venom
pevonedistat[no description available]low00cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer
tg101209[no description available]low00N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
nsc 23766[no description available]low00hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
sm 164[no description available]low00benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent
scalaradial[no description available]low00acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid		animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker
nnc 55-0396[no description available]low00hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholine[no description available]low001,2-diacyl-sn-glycero-3-phosphocholine;
aldehyde		apoptosis inducer
olaparib[no description available]low00cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
lcl161[no description available]low001,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine		antineoplastic agent;
apoptosis inducer
delanzomib[no description available]low00C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
sch772984[no description available]low00biaryl;
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
niraparib[no description available]low002-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
navitoclax[no description available]low00aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]low00aminopyrimidine;
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
poziotinib[no description available]low00acrylamides;
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]low00aromatic 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]low00benzamides;
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
TAK-580[no description available]low001,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
ixazomib[no description available]low00benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
cx 5461[no description available]low00diazepine;
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]low00benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
GDC-0623[no description available]low00hydroxamic 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
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
jadomycin b[no description available]low00glycoside;
jadomycin;
organic heteropentacyclic compound		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor;
bacterial metabolite
tak-632[no description available]low00(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
jq1 compound[no description available]low00carboxylic 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
gilteritinib[no description available]low00aromatic 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
abt-199[no description available]low00aromatic 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]low00benzimidazole;
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]low00enone;
epoxy steroid;
lactone;
physalin		antileishmanial agent;
antimalarial;
antineoplastic agent;
apoptosis inducer;
immunosuppressive agent
chir 98014[no description available]low00aminopyrimidine;
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
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide[no description available]low00acetamides;
hydroxyindoles;
tryptamines		antineoplastic agent;
apoptosis inducer;
plant metabolite
lfm a13[no description available]low00aromatic 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]low00aminopiperidine;
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
MK-8353[no description available]low00aromatic 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
acp-196[no description available]low00aromatic 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]low00aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
ly3009120[no description available]low00aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor
as 1842856[no description available]low00organofluorine 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
sr9243[no description available]low00bromobenzenes;
sulfonamide;
sulfone		antineoplastic agent;
apoptosis inducer;
liver X receptor inverse agonist
ldc4297[no description available]low00aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cigb-300[no description available]low00heterodetic cyclic peptide;
polypeptide		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
THZ531[no description available]low00aminopyrimidine;
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]low00aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
tirapazamine[no description available]low00aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
undecylprodigiosin[no description available]low00alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile[no description available]low00hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
tilimycin[no description available]low00phenols;
pyrrolobenzodiazepine		alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin
n-(3-(aminomethyl)benzyl)acetamidine[no description available]low00aralkylamine;
carboxamidine;
primary amino compound		angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector
vitamin k 3[no description available]low001,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
sb 220025[no description available]low00aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines		angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
suramin[no description available]low00naphthalenesulfonic 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
acetopyrrothine[no description available]low00acetamides;
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
2-methyl-1,4-hydroquinone[no description available]low00hydroquinonesangiogenesis inhibitor;
anti-inflammatory agent;
Penicillium metabolite
suramin sodium[no description available]low00organic sodium saltangiogenesis 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
aureothricin[no description available]low00dithiolopyrrolone antibiotic;
secondary carboxamide		angiogenesis inhibitor;
antibacterial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor
voacamine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite
matairesinol[no description available]low00gamma-lactone;
lignan;
polyphenol		angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite
pomalidomide[no description available]low00aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
ptk 787[no description available]low00succinate saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
vatalanib[no description available]low00monochlorobenzenes;
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
sorafenib[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
lenalidomide[no description available]low00aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
o-(chloroacetylcarbamoyl)fumagillol[no description available]low00carbamate 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
tamoxifen citrate[no description available]low00citrate saltangiogenesis inhibitor;
anticoronaviral agent
tamoxifen[no description available]low00stilbenoid;
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
amentoflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
wogonin[no description available]low00dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
su 11248[no description available]low00monocarboxylic 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
batimastat[no description available]low00hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
ascofuranone[no description available]low00dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
capsiate[no description available]low00carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
ageladine a[no description available]low00alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite
ascochlorin[no description available]low00cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
abt 869[no description available]low00aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
EG00229[no description available]low00benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes		angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist
rifampin[no description available]low00cyclic 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
quininib[no description available]low00phenols;
styrylquinoline		angiogenesis inhibitor
ver 52296[no description available]low00aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
protocatechuic acid[no description available]low00catechols;
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]low004-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
perillic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid		antineoplastic agent;
human metabolite;
mouse metabolite
pk 11195[no description available]low00aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent
pd 173074[no description available]low00aromatic 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]low00aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
7,8-dihydroxyflavone[no description available]low00dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
ro 48-8071[no description available]low00aromatic 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]low00aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
alfuzosin[no description available]low00monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
am 580[no description available]low00amidobenzoic acid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist
aminoglutethimide[no description available]low00dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
amsacrine[no description available]low00acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole[no description available]low00nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
azathioprine[no description available]low00aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelaic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
berberine[no description available]low00alkaloid 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]low00biguanidesantineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent
busulfan[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
camostat[no description available]low00benzoate 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]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
cgs 15943[no description available]low00aromatic 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]low00benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
chlorambucil[no description available]low00aromatic 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]low00acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
ciglitazone[no description available]low00aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cl 387785[no description available]low00bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
clofibric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
dacarbazine[no description available]low00imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug
dequalinium[no description available]low00quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
3,3'-diindolylmethane[no description available]low00indolesantineoplastic agent;
P450 inhibitor
doxazosin[no description available]low00aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
ellipticine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
emodin[no description available]low00trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
etanidazole[no description available]low00C-nitro compound;
imidazoles;
monocarboxylic acid amide		alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent
etidronate[no description available]low001,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
fluorouracil[no description available]low00nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
flutamide[no description available]low00(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
beta-thujaplicin[no description available]low00cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
hydroxyurea[no description available]low00one-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
ifosfamide[no description available]low00ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
indole-3-carbinol[no description available]low00indolyl alcoholantineoplastic agent;
plant metabolite
beta-lapachone[no description available]low00benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]low00(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]low00nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lomustine[no description available]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
6-anilino-5,8-quinolinedione[no description available]low00aminoquinoline;
aromatic amine;
p-quinones;
quinolone		antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor
meclofenamic acid[no description available]low00aminobenzoic 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
methoxsalen[no description available]low00aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
nocodazole[no description available]low00aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
mitoxantrone[no description available]low00dihydroxyanthraquinoneanalgesic;
antineoplastic agent
n(1), n(12)-diethylspermine[no description available]low00polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine		antineoplastic agent
nilutamide[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide[no description available]low00aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor
pd 158780[no description available]low00aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
phloretin[no description available]low00dihydrochalconesantineoplastic agent;
plant metabolite
pipobroman[no description available]low00N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent
procarbazine[no description available]low00benzamides;
hydrazines		antineoplastic agent
salicylsalicylic acid[no description available]low00benzoate 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]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent
SU6656[no description available]low00oxindoles;
sulfonamide		antineoplastic agent;
Aurora kinase inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
sulforaphane[no description available]low00isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
temozolomide[no description available]low00imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terazosin[no description available]low00furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
2,2'-thiodiethanol[no description available]low00aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent
tilorone[no description available]low00aromatic 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]low00chromanes;
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
mitomycin[no description available]low00mitomycinalkylating agent;
antineoplastic agent
prednisolone[no description available]low0011beta-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
floxuridine[no description available]low00nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
prednisone[no description available]low0011-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]low0017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
azauridine[no description available]low00N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
mechlorethamine hydrochloride[no description available]low00hydrochlorideantineoplastic agent
vincristine[no description available]low00acetate 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]low0017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
dromostanolone[no description available]low0017beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent
bromodeoxyuridine[no description available]low00pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
ethyl methanesulfonate[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent
triaziquone[no description available]low001,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent
tubercidin[no description available]low00antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
cytarabine[no description available]low00beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
trifluridine[no description available]low00nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate[no description available]low0020-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]low0011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent
rotenone[no description available]low00organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
phenformin[no description available]low00biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
dibenzoylmethane[no description available]low00aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite
pyrazolanthrone[no description available]low00anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
azacitidine[no description available]low00N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
diazomethane[no description available]low00diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
procarbazine hydrochloride[no description available]low00hydrochlorideantineoplastic agent
lucanthone[no description available]low00thioxanthenesadjuvant;
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]low00hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
aloe emodin[no description available]low00aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
emetine[no description available]low00isoquinoline 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]low001,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
podophyllotoxin[no description available]low00furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
dequalinium chloride[no description available]low00organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
formestane[no description available]low0017-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene[no description available]low00chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
megestrol acetate[no description available]low0020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
2-fluoroadenine[no description available]low00organofluorine compound;
purines		antineoplastic agent
tetramethylpyrazine[no description available]low00alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
guanazole[no description available]low00aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
diallyl disulfide[no description available]low00organic disulfideantifungal agent;
antineoplastic agent;
plant metabolite
phenethyl isothiocyanate[no description available]low00isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
glaucine[no description available]low00aporphine 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]low001-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
doxifluridine[no description available]low00organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
megestrol[no description available]low0017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
cladribine[no description available]low00organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
tabersonine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite
vidarabine[no description available]low00beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
cyclophosphamide[no description available]low00hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent
helenalin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite
etidronate disodium[no description available]low00organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator
camptothecin[no description available]low00delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
isopentenyladenosine[no description available]low00N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite
nsc-145,668[no description available]low00hydrochlorideantimetabolite;
antineoplastic agent
ancitabine[no description available]low00diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
clodronic acid[no description available]low001,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent
daunorubicin[no description available]low00aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
fludarabine phosphate[no description available]low00nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
2,6-diaminopurine[no description available]low002,6-diaminopurines;
primary amino compound		antineoplastic agent
silybin[no description available]low00aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
glucaric acid[no description available]low00glucaric acidantineoplastic agent
paclitaxel[no description available]low00taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]low00beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
promegestone[no description available]low0020-oxo steroid;
3-oxo-Delta(4) steroid		antineoplastic agent;
progesterone receptor agonist;
progestin
perfosfamide[no description available]low00nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide		alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite
nimustine[no description available]low00aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
lonidamine[no description available]low00dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
vindesine[no description available]low00methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent
diaziquone[no description available]low001,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent
oltipraz[no description available]low001,2-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]low00N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
mitoxantrone hydrochloride[no description available]low00hydrochlorideantineoplastic agent
bisantrene[no description available]low00anthracenes;
hydrazone;
imidazolidines		antineoplastic agent
swainsonine[no description available]low00indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
lovastatin[no description available]low00delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
cabergoline[no description available]low00N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
nitrogenase stabilizing-protective protein, bacteria[no description available]low00N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamideandrogen antagonist;
antineoplastic agent
bmy 25067[no description available]low00C-nitro compound;
organic disulfide		antineoplastic agent
brequinar[no description available]low00biphenyls;
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
imiquimod[no description available]low00imidazoquinolineantineoplastic agent;
interferon inducer
aromasil[no description available]low0017-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]low00phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
topotecan[no description available]low00pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine hydrochloride[no description available]low00hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent
gemcitabine[no description available]low00organofluorine 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
capecitabine[no description available]low00carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
nelfinavir mesylate[no description available]low00methanesulfonate saltantineoplastic agent;
HIV protease inhibitor
nelfinavir[no description available]low00aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
betulinic acid[no description available]low00hydroxy 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]low00dihydroxyflavone;
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]low001,4-benzodiazepinone;
organochlorine compound;
pyrroles		anti-HIV-1 agent;
antineoplastic agent;
HIV-1 Tat inhibitor;
RUNX1 inhibitor
plerixafor[no description available]low00azacycloalkane;
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
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose[no description available]low00gallate 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]low00dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger
triptonide[no description available]low00butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound		anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent
3'-deoxyadenosine 5'-triphosphate[no description available]low00purine ribonucleoside 5'-triphosphateantifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent
2-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
pinocembrin[no description available]low00(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
tangeretin[no description available]low00pentamethoxyflavoneantineoplastic agent;
plant metabolite
ethinylestradiol-3-sulfate[no description available]low0017beta-hydroxy steroid;
steroid sulfate		antineoplastic agent;
estrogen
lonazolac[no description available]low00monocarboxylic 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]low002-oxo monocarboxylic acid;
organobromine compound;
oxo carboxylic acid		alkylating agent;
antineoplastic agent
dexrazoxane[no description available]low00razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
masoprocol[no description available]low00nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
dw a 2114r[no description available]low00platinum coordination entity;
pyrrolidines		antineoplastic agent
prednisolone phosphate[no description available]low0011beta-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]low003'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite
sesamin[no description available]low00benzodioxoles;
furofuran;
lignan		antineoplastic agent;
neuroprotective agent;
plant metabolite
betulin[no description available]low00diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
nobiletin[no description available]low00methoxyflavoneantineoplastic agent;
plant metabolite
picropodophyllin[no description available]low00furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
kaurenoic acid[no description available]low00ent-kaurane diterpenoidanti-HIV-1 agent;
antineoplastic agent;
plant metabolite
xanthomicrol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
uvaretin[no description available]low00aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite
fangchinoline[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
maslinic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
5-(3-methyl-1-triazeno)imidazole-4-carboxamide[no description available]low00imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent
hydroxyguanidine[no description available]low00guanidines;
one-carbon compound		antineoplastic agent;
antiviral agent
cryptolepine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
bexarotene[no description available]low00benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
3,4-dihydroxyphenylethanol[no description available]low00catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite
terreic acid[no description available]low00arene 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]low00beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative		antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor
9-hydroxyellipticine[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound		antineoplastic agent
nimustine[no description available]low00hydrochlorideantineoplastic agent
beta-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
alpha-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite
cryptopleurine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor
sugiol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger
1-methyltryptophan[no description available]low00non-proteinogenic alpha-amino acid;
tryptophan derivative		antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
alpha-glutamyltryptophan[no description available]low00dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite
fulvestrant[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
ici 164384[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist
hc toxin[no description available]low00homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin
fingolimod[no description available]low00aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
tamibarotene[no description available]low00dicarboxylic acid monoamide;
retinoid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist
ecteinascidin 743[no description available]low00acetate 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]low00flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger
selenomethylselenocysteine[no description available]low00non-proteinogenic alpha-amino acid;
selenocysteines		antineoplastic agent;
human metabolite
tephrosin[no description available]low00aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide
sc 58125[no description available]low00organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor
marimastat[no description available]low00hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
1'-acetoxychavicol acetate[no description available]low00acetate ester;
phenylpropanoid		antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite
clofarabine[no description available]low00adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
trapoxin a[no description available]low00epoxide;
homodetic cyclic peptide;
ketone		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite
celastrol[no description available]low00monocarboxylic 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]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
aminolevulinic acid hydrochloride[no description available]low00hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
gefitinib[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
cgp 42112a[no description available]low00benzyl ester;
oligopeptide;
pyridinecarboxamide		angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent
vadimezan[no description available]low00monocarboxylic acid;
xanthones		antineoplastic agent
4-carbamoylimidazolium 5-olate[no description available]low00hydroxyimidazole;
monocarboxylic acid amide		antineoplastic agent
nsc 224070[no description available]low001,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound		alkylating agent;
antineoplastic agent
psorospermin[no description available]low00epoxide;
organic heterotetracyclic compound;
xanthones		antineoplastic agent;
plant metabolite
methotrexate[no description available]low00dicarboxylic 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
3,7-dihydroxytropolone[no description available]low00alpha-hydroxy ketone;
cyclic ketone;
enol;
triol		antineoplastic agent;
bacterial metabolite
delphinidin[no description available]low005-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite
tamsulosin[no description available]low005-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
saintopin[no description available]low00tetracenequinonesantineoplastic 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]low00monoterpenoid;
organobromine compound;
organochlorine compound		algal metabolite;
antineoplastic agent;
marine metabolite
ilomastat[no description available]low00hydroxamic 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]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
yakuchinone-a[no description available]low00ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
selenomethylselenocysteine[no description available]low00amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine		antineoplastic agent
10-propargyl-10-deazaaminopterin[no description available]low00N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel[no description available]low00hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
docetaxel anhydrous[no description available]low00secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
lonafarnib[no description available]low004-{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-carboxamideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
6-azauridine-5'-monophosphate[no description available]low00N-glycosyl-1,2,4-triazine;
nucleoside monophosphate analogue		antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
cyc 682[no description available]low00nitrile;
nucleoside analogue;
secondary carboxamide		antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug
canertinib[no description available]low00monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
methyl 5-aminolevulinate hydrochloride[no description available]low00hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
methyl 5-aminolevulinate[no description available]low00delta-amino acid esterantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
aklavinone[no description available]low00anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent
anonaine[no description available]low00aporphine alkaloid;
organic heteropentacyclic compound;
oxacycle		antineoplastic agent;
antiplasmodial drug;
trypanocidal drug
4'-demethyldesoxypodophyllotoxin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite
salvigenin[no description available]low00monohydroxyflavone;
trimethoxyflavone		antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite
deferrioxamine e[no description available]low00cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle		antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore
ampelopsin[no description available]low00dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite
methylselenic acid[no description available]low00one-carbon compound;
organoselenium compound		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite
acetyl aleuritolic acid[no description available]low00acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite
withanolide d[no description available]low0020-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent
myricanone[no description available]low00aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite
cirsilineol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
6-methylthiohexyl isothiocyanate[no description available]low00isothiocyanate;
methyl sulfide		antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent
albicanol[no description available]low00carbobicyclic 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]low00enol ether;
monohydroxy-1,4-benzoquinones		antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite
asperphenamate[no description available]low00benzamides;
carboxylic ester;
L-phenylalanine derivative		antineoplastic agent
erlotinib[no description available]low00aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
erlotinib hydrochloride[no description available]low00hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor
corynoline[no description available]low00benzophenanthridine 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]low00benzodioxoles;
furonaphthodioxole;
lignan		anti-HBV agent;
antineoplastic agent;
plant metabolite
top 53[no description available]low00furonaphthodioxole;
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]low005-alkylresorcinolantineoplastic agent;
plant metabolite
minquartynoic acid[no description available]low00acetylenic fatty acid;
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
tetrayne		antimalarial;
antineoplastic agent;
antiviral agent
scutellarin[no description available]low00glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor
ergolide[no description available]low00acetate 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]low00aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite
chrysosplenol c[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
antiviral agent;
plant metabolite
lanperisone[no description available]low002-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-oneantineoplastic agent;
calcium channel blocker;
ferroptosis inducer;
muscle relaxant;
voltage-gated sodium channel blocker
(-)-gallocatechin gallate[no description available]low00catechin;
gallate ester;
polyphenol		antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
orantinib[no description available]low00monocarboxylic 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]low00furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
firocoxib[no description available]low00butenolide;
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]low00morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
lasofoxifene[no description available]low00aromatic 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]low00hydrochlorideantineoplastic 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]low00imidazoles;
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]low00chloroindole;
organochlorine compound;
sulfonamide		antineoplastic agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
diflomotecan[no description available]low00epsilon-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]low00alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent
dromostanolone propionate[no description available]low003-oxo-5alpha-steroid;
steroid ester		antineoplastic agent
vincaleukoblastine[no description available]low00acetate 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]low00organic sulfate saltantineoplastic agent;
geroprotector
estramustine[no description available]low0017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
wortmannin[no description available]low00acetate 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]low00monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite
acronine[no description available]low00acridone derivatives;
alkaloid		antineoplastic agent;
metabolite
taiwanin c[no description available]low00benzodioxoles;
furonaphthodioxole;
lignan		antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor
bortezomib[no description available]low00amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
carnosine[no description available]low00amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
pentostatin[no description available]low00coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
canaline[no description available]low00amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite
hippeastrine[no description available]low00delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite
glaucarubinone[no description available]low00carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol		antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite
ginsenoside re[no description available]low0012beta-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
ferruginol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent
stevioside[no description available]low00beta-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]low00cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
naringin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
eugeniin[no description available]low00beta-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]low00aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite
gingerol[no description available]low00beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite
mucronulatol[no description available]low00hydroxyisoflavans;
methoxyisoflavan		antineoplastic agent;
plant metabolite
syringaresinol[no description available]low00syringaresinolantineoplastic agent
enkephalin, methionine[no description available]low00pentapeptide;
peptide zwitterion		analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist
sodium arsenite[no description available]low00arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide
surfactin c[no description available]low00cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant
kerriamycin b[no description available]low00angucycline antibioticantineoplastic agent
tretinoin[no description available]low00retinoic 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]low00docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
eicosapentaenoic acid[no description available]low00icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
formycin[no description available]low00formycinantineoplastic agent
neocarzinostatin chromophore[no description available]low00cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester		antineoplastic agent
adenosine-5'-(n-ethylcarboxamide)[no description available]low00adenosines;
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]low00guanidines;
primary amino compound		antineoplastic agent;
EC 2.5.1.46 (deoxyhypusine synthase) inhibitor
diethylstilbestrol[no description available]low00olefinic 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
epothilone a[no description available]low00epothilone;
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]low006-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound		antineoplastic agent;
Hsp90 inhibitor
alitretinoin[no description available]low00retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
afimoxifene[no description available]low00phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
teniposide[no description available]low00aromatic 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]low00bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent
tiazofurin[no description available]low001,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
melphalan[no description available]low00L-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]low00aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor
rubitecan[no description available]low00C-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]low00arsenic oxideantineoplastic agent;
insecticide
isoliquiritigenin[no description available]low00chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
vedelianin[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
plant metabolite
s 1033[no description available]low00(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
trilostane[no description available]low0017beta-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]low00acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist
leuprolide[no description available]low00oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
mercaptopurine[no description available]low00aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
iFSP1[no description available]low00aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes		antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor
curcumin[no description available]low00aromatic 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
xl147[no description available]low00aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
mcb-613[no description available]low00cyclic ketone;
enone;
pyridines		antineoplastic agent;
steroid receptor coactivator stimulator
thioguanine anhydrous[no description available]low002-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
stattic[no description available]low001-benzothiophenes;
C-nitro compound;
sulfone		antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor
krn 7000[no description available]low00glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine		allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant
monastrol[no description available]low00enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
toremifene[no description available]low00aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
beauvericin[no description available]low00cyclodepsipeptideantibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor
nelarabine[no description available]low00beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
manool[no description available]low00labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite
amrubicin[no description available]low00anthracycline antibiotic;
methyl ketone;
primary amino compound;
quinone;
tetracenes		antineoplastic agent;
prodrug;
topoisomerase II inhibitor
ospemifene[no description available]low00aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator
tandutinib[no description available]low00aromatic 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]low001,3-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]low00hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor
zd 6474[no description available]low00aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
l 663536[no description available]low00aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
ginkgetin[no description available]low00biflavonoid;
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]low00dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
biochanin a[no description available]low004'-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]low00C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
apigenin[no description available]low00trihydroxyflavoneantineoplastic agent;
metabolite
calcitriol[no description available]low00D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
hymecromone[no description available]low00hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
chrysoeriol[no description available]low00monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite
dexmedetomidine[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
metabolite
bryostatin 1[no description available]low00acetate 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]low00beta-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]low00prostaglandins J;
secondary alcohol		antineoplastic agent;
antiviral agent
genistein[no description available]low007-hydroxyisoflavonesantineoplastic 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]low00quinolinium ionanthelminthic drug;
antineoplastic agent
cyclobenzaprine[no description available]low009,11,13-octadecatrienoic acidantineoplastic agent;
plant metabolite
butein[no description available]low00chalcones;
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]low00cucurbitacin;
tertiary alpha-hydroxy ketone		antineoplastic agent;
plant metabolite
daphnoretin[no description available]low00aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite
costunolide[no description available]low00germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite
eupatolide[no description available]low00gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol		antineoplastic agent;
plant metabolite
agathisflavone[no description available]low00biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite
chrysin[no description available]low007-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
hinokiflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent
gartanin[no description available]low00polyphenol;
xanthones		antineoplastic agent;
plant metabolite
norathyriol[no description available]low00polyphenol;
xanthones		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
morin[no description available]low007-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]low00extended flavonoid;
trihydroxyflavone		antineoplastic agent;
plant metabolite
myricetin[no description available]low007-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
robustaflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite
tricetin[no description available]low00pentahydroxyflavoneantineoplastic agent;
metabolite
daidzein[no description available]low007-hydroxyisoflavonesantineoplastic 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]low00beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite
irilone[no description available]low00hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite
caffeic acid phenethyl ester[no description available]low00alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
tectochrysin[no description available]low00monohydroxyflavone;
monomethoxyflavone		antidiarrhoeal drug;
antineoplastic agent;
plant metabolite
tranilast[no description available]low00amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
4'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent
isotretinoin[no description available]low00retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
camostat mesylate[no description available]low00methanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
sirolimus[no description available]low00antibiotic 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]low007-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
fenretinide[no description available]low00monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
4-oxoretinol[no description available]low00cyclic 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]low00benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent
vinorelbine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
centaureidin[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite
ethyl caffeate[no description available]low00alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite
andrographolide[no description available]low00carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
isoginkgetin[no description available]low00aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
cudraflavone c[no description available]low00tetrahydroxyflavoneantibacterial agent;
antineoplastic agent;
plant metabolite
neobavaisoflavone[no description available]low007-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
neoglycyrol[no description available]low00aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one[no description available]low00dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
spiraeoside[no description available]low00beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
plant metabolite
rhamnazin[no description available]low00aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
semaxinib[no description available]low00olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
palbociclib[no description available]low00aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
ergosterol-5,8-peroxide[no description available]low003beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug
romidepsin[no description available]low00cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
macluraxanthone b[no description available]low00phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite
tamsulosin hydrochloride[no description available]low00hydrochloridealpha-adrenergic antagonist;
antineoplastic agent
glyceryl behenate[no description available]low001-monoglyceride;
fatty acid ester		antineoplastic agent;
plant metabolite
5,7,3'-trihydroxy-3,4'-dimethoxyflavone[no description available]low00dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite
pederin[no description available]low00cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide		antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant
artocarpin lectin[no description available]low00monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite
bleomycin[no description available]low00bleomycinantineoplastic agent;
metabolite
beta-aminopropionitrile fumarate (2:1)[no description available]low00fumarate saltantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
gamma-mangostin[no description available]low00phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor
demethoxycurcumin[no description available]low00beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite
cystothiazole a[no description available]low001,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic		antifungal agent;
antineoplastic agent;
bacterial metabolite
arglabin[no description available]low00epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite
ma-1[no description available]low00carboxamidine;
organochlorine compound;
pyrimidone;
pyrrolidines		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor
apratoxin a[no description available]low001,3-thiazoles;
apratoxin		antineoplastic agent;
metabolite
rhizoxin[no description available]low001,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
metabolite
sibiromycin[no description available]low00aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite
bryostatin 2[no description available]low00bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		antineoplastic agent;
marine metabolite;
protein kinase C agonist
everolimus[no description available]low00cyclic 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]low00HODEantineoplastic agent;
human xenobiotic metabolite;
mouse metabolite
ixabepilone[no description available]low001,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
axitinib[no description available]low00aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
l 744832[no description available]low00benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector
sophoraflavanone a[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
antineoplastic agent;
metabolite
manzamine a[no description available]low00alkaloid;
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]low004-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]low002-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]low00artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
ru 58668[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist
beta-elemene[no description available]low00beta-elemeneantineoplastic agent
laulimalide[no description available]low00carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent
jwh-133[no description available]low00benzochromene;
dibenzopyran;
organic heterotricyclic compound		analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent
belinostat[no description available]low00hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
panobinostat[no description available]low00cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound		angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
bml 210[no description available]low00dicarboxylic acid diamideantineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
bufalin[no description available]low0014beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug
rhosin[no description available]low00D-tryptophan derivative;
hydrazone;
quinoxaline derivative		antineoplastic agent;
RhoA inhibitor;
RhoC inhibitor
s-allylcysteine[no description available]low00L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine		antineoplastic agent;
metabolite
plitidepsin[no description available]low00didemninanticoronaviral agent;
antineoplastic agent;
marine metabolite
abiraterone acetate[no description available]low00pyridines;
sterol ester		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug
lenvatinib[no description available]low00aromatic 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]low00aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent
pd 0325901[no description available]low00difluorobenzene;
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
midostaurin[no description available]low00benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
muromonab-cd3[no description available]low00alkaloid;
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]low0012beta-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]low00tetracyclic diterpenoidantineoplastic agent;
microtubule-stabilising agent
elisidepsin[no description available]low00cyclodepsipeptideantineoplastic agent
fr 148083[no description available]low00aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
tln 4601[no description available]low00dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol		antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor
9-methoxycanthin-6-one[no description available]low00aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite
pi103[no description available]low00aromatic 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]low00hydrochloride;
iminium salt		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor
fty 720p[no description available]low00monoalkyl phosphate;
primary alcohol;
primary amino compound		antineoplastic agent;
immunosuppressive agent;
sphingosine-1-phosphate receptor agonist
hki 272[no description available]low00nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
es-285[no description available]low00amino alcohol;
sphingoid		antineoplastic agent
hypothemycin[no description available]low00aromatic 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]low00azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pasireotide[no description available]low00homodetic cyclic peptide;
peptide hormone		antineoplastic agent
rubraxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite
sr 11302[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes		antineoplastic agent;
AP-1 antagonist
sch 51344[no description available]low00aromatic 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]low0011-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
cerberin[no description available]low00acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite
pateamine a[no description available]low001,3-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]low00taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent
masitinib[no description available]low001,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
ly-2157299[no description available]low00aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines		antineoplastic agent;
TGFbeta receptor antagonist
pazopanib[no description available]low00aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
azd 6244[no description available]low00benzimidazoles;
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]low00aromatic 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]low00aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
jte 013[no description available]low00chloropyridine;
pyrazolopyridine		anti-asthmatic agent;
anti-inflammatory agent;
antineoplastic agent;
osteogenesis regulator;
pro-angiogenic agent;
sphingosine-1-phosphate receptor 2 antagonist
holomycin[no description available]low00acetamides;
dithiolopyrrolone antibiotic		antibacterial agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite
trilobacin[no description available]low00butenolide;
polyketide;
triol		antineoplastic agent;
plant metabolite
manassantin b[no description available]low00benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite
pha 665752[no description available]low00dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide		antineoplastic agent;
c-Met tyrosine kinase inhibitor
vinflunine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
homocamptothecin[no description available]low00epsilon-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]low00aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite
jaspamide b[no description available]low00cyclodepsipeptide;
organobromine compound		animal metabolite;
antineoplastic agent;
marine metabolite
ossamycin[no description available]low00cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite
nigranoic acid[no description available]low00dicarboxylic acid;
tetracyclic triterpenoid		antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite
esculeoside a[no description available]low00azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin		antineoplastic agent;
metabolite
azadirone[no description available]low00acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		antineoplastic agent;
antiplasmodial drug;
plant metabolite
iejimalide b[no description available]low00ether;
formamides;
macrolide		antineoplastic agent;
marine metabolite
migrastatin[no description available]low00ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite
cembra-2,7,11-triene-4,6-diol[no description available]low00cembrane diterpenoidantineoplastic 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]low00polyphenol;
xanthones		anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite
regorafenib[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
at 7867[no description available]low00monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bielschowskysin[no description available]low00acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite
erastin[no description available]low00aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor
spiculoic acid a[no description available]low00carbobicyclic 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]low00D-valine derivative;
hydroxamic acid		antineoplastic agent;
autophagy inducer;
EC 3.4.24.24 (gelatinase A) inhibitor;
melanin synthesis inhibitor
at 7519[no description available]low00dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
ym 216391[no description available]low001,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide		antineoplastic agent;
bacterial metabolite
marizomib[no description available]low00beta-lactone;
gamma-lactam;
organic heterobicyclic compound;
organochlorine compound;
salinosporamide		antineoplastic agent;
proteasome inhibitor
er-086526[no description available]low00cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound		antineoplastic agent;
microtubule-destabilising agent
obolactone[no description available]low002-pyranones;
4-pyranones		antineoplastic agent;
plant metabolite
episilvestrol[no description available]low00dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
azd 1152[no description available]low00anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
pf 00299804[no description available]low00enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
carfilzomib[no description available]low00epoxide;
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]low00aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
crizotinib[no description available]low003-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
zstk474[no description available]low00benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
trametinib[no description available]low00acetamides;
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]low00dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		antineoplastic agent;
metabolite
GDC-0879[no description available]low00indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines		antineoplastic agent;
B-Raf inhibitor
silvestrol[no description available]low00dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
at 13387[no description available]low00benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide		antineoplastic agent;
Hsp90 inhibitor
dactolisib[no description available]low00imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
bgt226[no description available]low00aromatic 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]low004'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone		antineoplastic agent;
metabolite
gedunin[no description available]low00acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid		antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite
monascin[no description available]low00alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide		antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist
monascorubrin[no description available]low00azaphilone;
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]low00alkaloid;
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]low00benzenes;
cyclic hydroxamic acid;
pyridone		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
ligstroside[no description available]low00beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite
mogrol[no description available]low00hydroxy seco-steroid;
tetracyclic triterpenoid		antineoplastic agent
simalikalactone D[no description available]low00cyclic 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]low00resorcinolsantineoplastic agent
mdv 3100[no description available]low00(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
azd 1152-hqpa[no description available]low00anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
adonixanthin[no description available]low00carotenone;
cyclic ketone;
secondary alcohol		algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite
schweinfurthin g[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite
abarelix[no description available]low00polypeptideantineoplastic agent;
hormone antagonist
gastrin 17[no description available]low00gastrinantineoplastic agent
gdc-0973[no description available]low00aromatic 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]low00aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
tubocapsanolide a[no description available]low004-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide		antineoplastic agent;
NF-kappaB inhibitor
ro5126766[no description available]low00aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk690693[no description available]low001,2,5-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]low002-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor
ku 0063794[no description available]low00benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor
berkeleydione[no description available]low00beta-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]low00cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite
bromophycolide a[no description available]low00diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite
meclofenamate sodium anhydrous[no description available]low00hydrateanalgesic;
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
brequinar sodium[no description available]low00organic sodium saltanticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
plx 4720[no description available]low00aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
aspergillide b[no description available]low00bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite
tenovin-6[no description available]low00monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor
lde225[no description available]low00aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
gdc 0449[no description available]low00benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent
bms 754807[no description available]low00pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
grassypeptolide[no description available]low00cyclodepsipeptide;
macrocycle		antineoplastic agent;
metabolite
pci 32765[no description available]low00acrylamides;
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]low00(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor
spiruchostatin b[no description available]low00macrocyclic lactone;
organic disulfide;
organic heterobicyclic compound;
spiruchostatin		antineoplastic agent;
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor
AMG-208[no description available]low00aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor
papuamide b[no description available]low00cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol		anti-HIV-1 agent;
antineoplastic agent;
marine metabolite
antroquinonol d[no description available]low00enol ether;
enone;
secondary alcohol		antineoplastic agent;
fungal metabolite
quizartinib[no description available]low00benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
6-methoxyspirotryprostatin b[no description available]low00aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite
PP121[no description available]low00aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
niraparib[no description available]low00benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
lucitanib[no description available]low00aromatic 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]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
cetrorelix[no description available]low00oligopeptideantineoplastic agent;
GnRH antagonist
histrelin[no description available]low00oligopeptideantineoplastic agent;
gonadotropin releasing hormone agonist
cabozantinib[no description available]low00aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
salvileucalin b[no description available]low00bridged compound;
diterpenoid;
furans;
gamma-lactone		antineoplastic agent;
metabolite
incb-018424[no description available]low00nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pexidartinib[no description available]low00aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
glasdegib[no description available]low00benzimidazoles;
nitrile;
phenylureas;
piperidines		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
gsk 2126458[no description available]low00aromatic 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
plx4032[no description available]low00aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
INDY[no description available]low00benzothiazoles;
enone;
organic hydroxy compound		antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor
7,8-dihydroxyflavanone[no description available]low00dihydroxyflavanoneantineoplastic agent;
metabolite
dabrafenib[no description available]low001,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
2,3-dihydro-3beta-O-sulfate withaferin A[no description available]low0027-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]low004'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antimalarial;
antineoplastic agent;
metabolite
thiopental sodium[no description available]low00organochlorine compound;
piperazines;
pyrimidines		antineoplastic agent;
tyrosine kinase inhibitor
chondramide a[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
englerin a[no description available]low00cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite
lrrk2-in1[no description available]low00aromatic 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
ML-210[no description available]low00C-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]low00cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite
alectinib[no description available]low00aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ML240[no description available]low00aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
torin 1[no description available]low00N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor
xl765[no description available]low00aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
DMH1[no description available]low00aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor
torin 2[no description available]low00aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor
oligomycin a[no description available]low00antibiotic 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]low00aminopyrimidine;
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]low0011-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]low0011-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist
gsk2656157[no description available]low00biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor
calicheamicin gamma(1)i[no description available]low00calicheamicin;
enediyne antibiotic;
organoiodine compound		antineoplastic agent;
metabolite
asperfuranone[no description available]low002-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite
ceritinib[no description available]low00aminopyrimidine;
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]low00monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor
gsk2879552[no description available]low00benzenes;
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]low00organic sodium saltantineoplastic agent;
fibroblast growth factor receptor antagonist
aspergillide a[no description available]low00bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite
capilliposide b[no description available]low00alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin		antineoplastic agent;
plant metabolite
surfactin A[no description available]low00cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant
myriaporone 3[no description available]low00beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite
GSK1059615[no description available]low00pyridines;
quinolines;
thiazolidinone		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
osimertinib[no description available]low00acrylamides;
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]low00cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
pf-06463922[no description available]low00aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
physalin d[no description available]low005alpha-hydroxy steroid;
6beta-hydroxy steroid;
cyclic ether;
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimycobacterial drug;
antineoplastic agent
acarbose[no description available]low00chondramide;
indoles;
organochlorine compound;
phenols		antineoplastic agent;
bacterial metabolite
CCT251545[no description available]low00azaspiro compound;
chloropyridine;
pyrazoles		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor
hg-9-91-01[no description available]low00aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound		antineoplastic agent;
salt-inducible kinase 2 inhibitor
chondramide d[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
bassianolide[no description available]low00cyclodepsipeptide;
cyclooctadepsipeptide		antineoplastic agent;
fungal metabolite;
insecticide
enasidenib[no description available]low001,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
ebc-46[no description available]low00diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester		antineoplastic agent;
plant metabolite;
protein kinase C agonist
levoleucovorin[no description available]low005-formyltetrahydrofolic acidantineoplastic agent;
metabolite
azaguanine[no description available]low00nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
pemetrexed[no description available]low00N-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
MMP-9-IN-1[no description available]low00aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor
hydrazinocurcumin[no description available]low00aromatic 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]low00beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor
cerulomycin[no description available]low00aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite
XL413[no description available]low00benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
pp242[no description available]low00aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor
marineosin a[no description available]low00azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite
marineosin b[no description available]low00azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite
ARS-1620[no description available]low00quinazolinesantineoplastic agent;
antiviral agent;
inhibitor
sotorasib[no description available]low00acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent
ConditionIndicatedRelationship StrengthStudiesTrials
Acne0low10
Acne Vulgaris0low10
Antibiotic-Associated Colitis0low10
Cancer of Colon0low40
Cancer of Liver0low10
Cancer of Prostate0low20
Cancer of the Colon0low40
Cancer of the Liver0low10
Cancer of the Prostate0low20
Cancer, Hepatocellular0low10
Carcinoma, Hepatocellular0low10
Cell Transformation, Neoplastic0low10
Clostridioides difficile Infection0low10
Clostridioides Infections0low10
Clostridioides perfringens Food Poisoning0low10
Clostridioides perfringens Infections0low10
Clostridioides sordellii Infection0low10
Clostridium difficile Infection0low10
Clostridium difficile Infections0low10
Clostridium Enterocolitis0low10
Clostridium Infections0low10
Clostridium perfringens Food Poisoning0low10
Clostridium perfringens Infections0low10
Clostridium sordellii Infection0low10
Clostridium sordellii Infections0low10
Colitis, Pseudomembranous0low10
Colon Cancer0low40
Colon Neoplasms0low40
Colonic Cancer0low40
Colonic Neoplasms0low40
Cross Infection0low10
Dermatoses0low10
Dermatosis0low10
Diarrhea0low10
Disease Models, Animal0low30
Enteritis, Pseudomembranous0low10
Enterocolitis, Pseudomembranous0low10
Food Poisoning0low10
Food-borne Disease0low10
Food-borne Diseases0low10
Food-borne Illness0low10
Food-borne Illnesses0low10
Foodborne Disease0low10
Foodborne Diseases0low10
Foodborne Illness0low10
Foodborne Illnesses0low10
Health Care Associated Infection0low10
Health Care Associated Infections0low10
Healthcare Associated Infections0low10
Hepatic Cancer0low10
Hepatic Neoplasms0low10
Hepatocellular Cancer0low10
Hepatocellular Carcinoma0low10
Hepatoma0low10
Hospital Infections0low10
Infection, Cross0low10
Infections, Clostridium0low10
Infections, Hospital0low10
Infections, Listeria0low10
Infections, Nosocomial0low10
Inflammation0low10
Innate Inflammatory Response0low10
Koch's Disease0low30
Kochs Disease0low30
Listeria Infections0low10
Listeriosis0low10
Liver Cancer0low10
Liver Cancer, Adult0low10
Liver Cell Carcinoma0low10
Liver Cell Carcinoma, Adult0low10
Liver Neoplasms0low10
Metastase0low30
Metastases, Neoplasm0low30
Metastasis0low30
Metastasis, Neoplasm0low30
Mycobacterium tuberculosis Infection0low30
Neoplasm Metastases0low30
Neoplasm Metastasis0low30
Neoplasms, Colonic0low40
Neoplasms, Hepatic0low10
Neoplasms, Liver0low10
Neoplasms, Prostate0low20
Neoplasms, Prostatic0low20
Neoplastic Cell Transformation0low10
Neoplastic Transformation, Cell0low10
Nosocomial Infections0low10
Poisoning, Food0low10
Prostate Cancer0low20
Prostate Neoplasms0low20
Prostatic Cancer0low20
Prostatic Neoplasms0low20
Pseudomembranous Colitis0low10
Pseudomembranous Enteritis0low10
Pseudomembranous Enterocolitis0low10
Skin and Subcutaneous Tissue Disorders0low10
Skin Diseases0low10
Transformation, Neoplastic Cell0low10
Tuberculosis0low30
Tumorigenic Transformation0low10

Research Highlights

Bioavailability (2)

ArticleYear
Antibacterial hop extracts encapsulated in nanochitosan matrices.
International journal of biological macromolecules, Volume: 120, Issue: Pt A		2018
Beer and beer compounds: physiological effects on skin health.
Journal of the European Academy of Dermatology and Venereology : JEADV, Volume: 28, Issue: 2		2014
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (1)

ArticleYear
Antimicrobial activity of lupulone against Clostridium perfringens in the chicken intestinal tract jejunum and caecum.
The Journal of antimicrobial chemotherapy, Volume: 61, Issue: 4		2008
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Natural Sources (1)

ArticleYear
In vitro evaluation of antibacterial, anticollagenase, and antioxidant activities of hop components (Humulus lupulus) addressing acne vulgaris.
Phytomedicine : international journal of phytotherapy and phytopharmacology, Volume: 16, Issue: 4		2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]