Compounds > azaserine
Page last updated: 2024-09-27

azaserine

Description

Azaserine: Antibiotic substance produced by various Streptomyces species. It is an inhibitor of enzymatic activities that involve glutamine and is used as an antineoplastic and immunosuppressive agent. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

azaserine : A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species. [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 CID460129
CHEMBL ID442607
CHEMBL ID1095699
CHEBI ID74846
SCHEMBL ID8861
MeSH IDM0002063

Synonyms (76)

Synonym
NSC742 ,
MLS000028392 ,
smr000058638
NCIMECH_000844
o-(diazoacetyl)-l-serine
nsc 742
azaserina [inn-spanish]
azaserine [usan:inn]
einecs 204-061-6
azaserinum [inn-latin]
rcra waste no. u015
nsc-742
ci-337
azaserine (usan/inn)
D03032
(2s)-2-amino-3-(2-diazoacetyl)oxy-propanoic acid
cn-15,757
o-diazoacetyl-l-serine
cl 337
p-165 ,
l-beta-(diazoacetoxy)alanin
l-serine, diazoacetate (ester)
ccris 61
AZS ,
serine, diazoacetate (ester), l-
ai3-25016
acetic acid, diazo-, ester with serine
diazoacetate (ester) l-serine
rcra waste number u015
cn 15757
azaserin
hsdb 5093
l-serine, o-(diazoacetyl)-
L-AZASERINE ,
115-02-6
azaserine
NCGC00021876-03
CHEMBL442607
chebi:74846 ,
cl-337
CHEMBL1095699
cn-15757
NCGC00018164-02
C19194
tox21_302892
dtxsid9020118 ,
cas-115-02-6
dtxcid70118
NCGC00256571-01
tox21_110833
HMS2232J04
unii-87299v3q9w
azaserinum
azaserina
87299v3q9w ,
l-beta-(diazoacetoxy)alanine
l-serine diazoacetate
l-serine diazoacetate ester
azaserine [mi]
azaserine [hsdb]
azaserine [iarc]
azaserine [inn]
azaserine [usan]
SCHEMBL8861
NCGC00021876-04
tox21_110833_1
HY-B0919
OPERA_ID_431
ci-337;o-diazoacetyl-l-serine;p-165
J-003178
(s)-2-amino-3-(2-diazoacetoxy)propanoic acid
asaserine
Q4832281
l-serine, o-(2-diazoacetyl)-
(2s)-2-amino-3-(2-diazoacetyl)oxypropanoic acid
AS-80005

Research Excerpts

Overview

ExcerptReference
"Azaserine is a bacterial metabolite containing a biologically unusual and synthetically enabling α-diazoester functional group. "( Balskus, EP; Hager, H; Hartwig, JF; Huang, J; Keasling, JD; Ng, TL; Van Cura, D, 2023)
"Azaserine is an analogue of glutamine and irreversibly inhibits glutamine-utilizing enzymes and cysteine-glutamate transporter genes EAAT2."( Mandyam D, V; Muthangi, S, 2020)
"Azaserine, which is an amino acid derivative that has the ability to initiate neoplastic changes in rat pancreas, was injected into 14-day-old male rats once a week for three weeks."( Aydin, AD; Kalipci, E; Öztaş, H; Yener, Y; Yildiz, H, 2013)
"Azaserine acts as a non-competitive inhibitor of the low-Km system for glutamine transport, but has no effect on the high-Km system."( Hsu, BY; Marshall, CM; McNamara, PD; Segal, S, 1980)
"Azaserine was shown to be an uncompetitive inhibitor with respect to lysine and this inhibition was not reversed by glutamine."( Jackson, GE; Murray, GJ; Parniak, MA; Viswanatha, T, 1984)
"Azaserine acts as a non-competitive inhibitor for the proline transport system in renal brush-border membranes by lowering 37% and 27% in the Vmax1 and Vmax2, respectively, when compared to that of control proline transport system."( Corcoran, SM; Hsu, BY; Marshall, CM; Segal, S, 1982)

Treatment

ExcerptReference
"Azaserine-treated cells produced moderately to poorly differentiated adenocarcinomas."( Chen, JR; Duguid, WP; Shepherd, JG; Tsao, MS, 1993)
"Only azaserine-treated rats had acidophilic AACF."( Calam, J; Deprez, PH; Flaks, B; Oztas, H; Watanapa, P; Williamson, RC, 1992)
"Azaserine treatment induced atypical acinar cell foci and nodules (AACN) in both sexes."( Brinck-Johnsen, T; Longnecker, DS; Roebuck, BD; Sumi, C, 1989)
"Azaserine-treated LEW rats that were given 5 mL corn oil/kg body weight 5 days per week by gavage developed more acinar cell foci than rats fed a basal diet (chow)."( Coon, CI; Curphey, TJ; Lhoste, E; Longnecker, DS; MacMillan, D; Roebuck, BD, 1986)
"All azaserine-treated rats had foci, and at all times approximately equal numbers of acidophilic and basophilic foci were present in the pancreas."( Baumgartner, KJ; Longnecker, DS; Roebuck, BD, 1987)
"Pretreatment with azaserine further augmented the increase in plasma glutamine concentration caused by the infusion of ammonium acetate in the chickens fed the high protein diet but not in those fed the low protein diet, and concurrently removed the stimulatory effect of ammonia on uric acid in the blood and urine of both dietary groups."( Karasawa, Y; Kibe, K, 1982)

Roles (7)

RoleDescription
antimicrobial agentA substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antineoplastic agentA substance that inhibits or prevents the proliferation of neoplasms.
antifungal agentAn antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antimetaboliteA substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
immunosuppressive agentAn agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
metaboliteAny intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
glutamine antagonistAn antagonist that acts on glutamine receptors.
[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 (4)

ClassDescription
diazo compoundCompounds containing a group =N2 attached to a single carbon atom. They are named by adding the prefix 'diazo-' to the name of the parent hydride or functional parent.
carboxylic esterAn ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.
L-serine derivativeA proteinogenic amino acid derivative resulting from reaction of L-serine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-serine by a heteroatom.
non-proteinogenic L-alpha-amino acidAny L-alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.
[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]

Protein Targets (13)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency31.62280.631035.7641100.0000AID504339
RAR-related orphan receptor gammaMus musculus (house mouse)Potency10.59090.006038.004119,952.5996AID1159521
TDP1 proteinHomo sapiens (human)Potency21.46970.000811.382244.6684AID686978; AID686979
AR proteinHomo sapiens (human)Potency50.82350.000221.22318,912.5098AID1259243; AID1259247; AID1259381; AID743040; AID743042; AID743054
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency39.81070.707912.194339.8107AID720542
farnesoid X nuclear receptorHomo sapiens (human)Potency0.00250.375827.485161.6524AID588527
estrogen nuclear receptor alphaHomo sapiens (human)Potency28.34020.000229.305416,493.5996AID743075; AID743079
cytochrome P450 2D6Homo sapiens (human)Potency38.90180.00108.379861.1304AID1645840
peroxisome proliferator activated receptor gammaHomo sapiens (human)Potency0.00130.001019.414170.9645AID588537
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency70.79460.354828.065989.1251AID504847
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency27.30600.000627.21521,122.0200AID743202
gemininHomo sapiens (human)Potency0.03100.004611.374133.4983AID624296; AID624297
Cellular tumor antigen p53Homo sapiens (human)Potency1.67850.002319.595674.0614AID651631
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (124)

Processvia Protein(s)Taxonomy
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycle G2/M phase transitionCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
ER overload responseCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
mitophagyCellular tumor antigen p53Homo sapiens (human)
in utero embryonic developmentCellular tumor antigen p53Homo sapiens (human)
somitogenesisCellular tumor antigen p53Homo sapiens (human)
release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
hematopoietic progenitor cell differentiationCellular tumor antigen p53Homo sapiens (human)
T cell proliferation involved in immune responseCellular tumor antigen p53Homo sapiens (human)
B cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
T cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
response to ischemiaCellular tumor antigen p53Homo sapiens (human)
nucleotide-excision repairCellular tumor antigen p53Homo sapiens (human)
double-strand break repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
protein import into nucleusCellular tumor antigen p53Homo sapiens (human)
autophagyCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediatorCellular tumor antigen p53Homo sapiens (human)
transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
Ras protein signal transductionCellular tumor antigen p53Homo sapiens (human)
gastrulationCellular tumor antigen p53Homo sapiens (human)
neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
protein localizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA replicationCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
determination of adult lifespanCellular tumor antigen p53Homo sapiens (human)
mRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
rRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
response to salt stressCellular tumor antigen p53Homo sapiens (human)
response to inorganic substanceCellular tumor antigen p53Homo sapiens (human)
response to X-rayCellular tumor antigen p53Homo sapiens (human)
response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
positive regulation of gene expressionCellular tumor antigen p53Homo sapiens (human)
cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
viral processCellular tumor antigen p53Homo sapiens (human)
glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
cerebellum developmentCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell growthCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCellular tumor antigen p53Homo sapiens (human)
negative regulation of telomere maintenance via telomeraseCellular tumor antigen p53Homo sapiens (human)
T cell differentiation in thymusCellular tumor antigen p53Homo sapiens (human)
tumor necrosis factor-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
regulation of tissue remodelingCellular tumor antigen p53Homo sapiens (human)
cellular response to UVCellular tumor antigen p53Homo sapiens (human)
multicellular organism growthCellular tumor antigen p53Homo sapiens (human)
positive regulation of mitochondrial membrane permeabilityCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
entrainment of circadian clock by photoperiodCellular tumor antigen p53Homo sapiens (human)
mitochondrial DNA repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
transcription initiation-coupled chromatin remodelingCellular tumor antigen p53Homo sapiens (human)
negative regulation of proteolysisCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assemblyCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
response to antibioticCellular tumor antigen p53Homo sapiens (human)
fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
circadian behaviorCellular tumor antigen p53Homo sapiens (human)
bone marrow developmentCellular tumor antigen p53Homo sapiens (human)
embryonic organ developmentCellular tumor antigen p53Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylationCellular tumor antigen p53Homo sapiens (human)
protein stabilizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of helicase activityCellular tumor antigen p53Homo sapiens (human)
protein tetramerizationCellular tumor antigen p53Homo sapiens (human)
chromosome organizationCellular tumor antigen p53Homo sapiens (human)
neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
hematopoietic stem cell differentiationCellular tumor antigen p53Homo sapiens (human)
negative regulation of glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
type II interferon-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
cardiac septum morphogenesisCellular tumor antigen p53Homo sapiens (human)
positive regulation of programmed necrotic cell deathCellular tumor antigen p53Homo sapiens (human)
protein-containing complex assemblyCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stressCellular tumor antigen p53Homo sapiens (human)
thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
necroptotic processCellular tumor antigen p53Homo sapiens (human)
cellular response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
cellular response to xenobiotic stimulusCellular tumor antigen p53Homo sapiens (human)
cellular response to ionizing radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to UV-CCellular tumor antigen p53Homo sapiens (human)
stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
cellular response to actinomycin DCellular tumor antigen p53Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
cellular senescenceCellular tumor antigen p53Homo sapiens (human)
replicative senescenceCellular tumor antigen p53Homo sapiens (human)
oxidative stress-induced premature senescenceCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
oligodendrocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of execution phase of apoptosisCellular tumor antigen p53Homo sapiens (human)
negative regulation of mitophagyCellular tumor antigen p53Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of G1 to G0 transitionCellular tumor antigen p53Homo sapiens (human)
negative regulation of miRNA processingCellular tumor antigen p53Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
negative regulation of pentose-phosphate shuntCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
regulation of fibroblast apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
positive regulation of cellular senescenceCellular tumor antigen p53Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (34)

Processvia Protein(s)Taxonomy
transcription cis-regulatory region bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
core promoter sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
TFIID-class transcription factor complex bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
protease bindingCellular tumor antigen p53Homo sapiens (human)
p53 bindingCellular tumor antigen p53Homo sapiens (human)
DNA bindingCellular tumor antigen p53Homo sapiens (human)
chromatin bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activityCellular tumor antigen p53Homo sapiens (human)
mRNA 3'-UTR bindingCellular tumor antigen p53Homo sapiens (human)
copper ion bindingCellular tumor antigen p53Homo sapiens (human)
protein bindingCellular tumor antigen p53Homo sapiens (human)
zinc ion bindingCellular tumor antigen p53Homo sapiens (human)
enzyme bindingCellular tumor antigen p53Homo sapiens (human)
receptor tyrosine kinase bindingCellular tumor antigen p53Homo sapiens (human)
ubiquitin protein ligase bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase regulator activityCellular tumor antigen p53Homo sapiens (human)
ATP-dependent DNA/DNA annealing activityCellular tumor antigen p53Homo sapiens (human)
identical protein bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase bindingCellular tumor antigen p53Homo sapiens (human)
protein heterodimerization activityCellular tumor antigen p53Homo sapiens (human)
protein-folding chaperone bindingCellular tumor antigen p53Homo sapiens (human)
protein phosphatase 2A bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCellular tumor antigen p53Homo sapiens (human)
14-3-3 protein bindingCellular tumor antigen p53Homo sapiens (human)
MDM2/MDM4 family protein bindingCellular tumor antigen p53Homo sapiens (human)
disordered domain specific bindingCellular tumor antigen p53Homo sapiens (human)
general transcription initiation factor bindingCellular tumor antigen p53Homo sapiens (human)
molecular function activator activityCellular tumor antigen p53Homo sapiens (human)
promoter-specific chromatin bindingCellular tumor antigen p53Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (19)

Processvia Protein(s)Taxonomy
nuclear bodyCellular tumor antigen p53Homo sapiens (human)
nucleusCellular tumor antigen p53Homo sapiens (human)
nucleoplasmCellular tumor antigen p53Homo sapiens (human)
replication forkCellular tumor antigen p53Homo sapiens (human)
nucleolusCellular tumor antigen p53Homo sapiens (human)
cytoplasmCellular tumor antigen p53Homo sapiens (human)
mitochondrionCellular tumor antigen p53Homo sapiens (human)
mitochondrial matrixCellular tumor antigen p53Homo sapiens (human)
endoplasmic reticulumCellular tumor antigen p53Homo sapiens (human)
centrosomeCellular tumor antigen p53Homo sapiens (human)
cytosolCellular tumor antigen p53Homo sapiens (human)
nuclear matrixCellular tumor antigen p53Homo sapiens (human)
PML bodyCellular tumor antigen p53Homo sapiens (human)
transcription repressor complexCellular tumor antigen p53Homo sapiens (human)
site of double-strand breakCellular tumor antigen p53Homo sapiens (human)
germ cell nucleusCellular tumor antigen p53Homo sapiens (human)
chromatinCellular tumor antigen p53Homo sapiens (human)
transcription regulator complexCellular tumor antigen p53Homo sapiens (human)
protein-containing complexCellular tumor antigen p53Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (83)

Assay IDTitleYearJournalArticle
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID478476Antitumor activity against ip dosed mouse EAC implanted in Swiss albino mouse assessed as inhibition of ascitic fluid administered daily for 7 days measured on 9th day relative to control2010European journal of medicinal chemistry, May, Volume: 45, Issue:5
Synthesis, pharmacological activity and comparative QSAR modeling of 1,5-N,N'-substituted-2-(substituted naphthalenesulphonyl) glutamamides as possible anticancer agents.
AID553847Antifungal activity against wild type Saccharomyces cerevisiae ATCC 9763 in YNPG medium containing 1 mg/ml 1-glutamate after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553855Antifungal activity against fluconazole sensitive Candida albicans isolate B3 in RPMI-1640 buffered medium after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID588208Literature-mined public compounds from Lowe et al phospholipidosis modelling dataset2010Molecular pharmaceutics, Oct-04, Volume: 7, Issue:5
Predicting phospholipidosis using machine learning.
AID553850Antifungal activity against Saccharomyces cerevisiae ADCDR2 expressing Candida albicans CDR2 efflux pump in YNPG medium containing 1 mg/ml 1-glutamate after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553854Antifungal activity against fluconazole resistant Candida albicans isolate Gu5 overexpressing CDR1 and CDR2 in RPMI-1640 buffered medium after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553849Antifungal activity against Saccharomyces cerevisiae ADCDR1 expressing Candida albicans CDR1 efflux pump in YNPG medium containing 1 mg/ml 1-glutamate after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553518Drug uptake in Saccharomyces cerevisiae ADCDR1 expressing Candida albicans CDR1 efflux pump at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553535Drug accumulation in Saccharomyces cerevisiae ADCDR1 expressing Candida albicans CDR1 efflux pump reenergized with glucose at pH 6.0 assessed as intracellular accumulation after 60 mins by fluorescamine staining2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID409957Inhibition of bovine liver MAOA2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID540235Phospholipidosis-negative literature compound
AID977599Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID553534Drug accumulation in Saccharomyces cerevisiae AD12345678 reenergized with glucose at pH 6.0 assessed as intracellular accumulation after 60 mins by fluorescamine staining2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID588210Human drug-induced liver injury (DILI) modelling dataset from Ekins et al2010Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12
A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID977602Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID478477Antitumor activity against ip dosed mouse EAC implanted in Swiss albino mouse assessed as inhibition of ascitic cell administered daily for 7 days measured on 9th day relative to control2010European journal of medicinal chemistry, May, Volume: 45, Issue:5
Synthesis, pharmacological activity and comparative QSAR modeling of 1,5-N,N'-substituted-2-(substituted naphthalenesulphonyl) glutamamides as possible anticancer agents.
AID553522Drug uptake in Saccharomyces cerevisiae ADMDR1 expressing Candida albicans MDR1 efflux pump at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553851Antifungal activity against Saccharomyces cerevisiae ADMDR1 expressing Candida albicans MDR1 efflux pump in YNPG medium containing 1 mg/ml 1-glutamate after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553516Drug uptake in Saccharomyces cerevisiae AD12345678 at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553848Antifungal activity against Saccharomyces cerevisiae AD12345678 in YNPG medium containing 1 mg/ml 1-glutamate after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID588209Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset2010Chemical research in toxicology, Jul-19, Volume: 23, Issue:7
Developing structure-activity relationships for the prediction of hepatotoxicity.
AID409959Inhibition of bovine liver MAOB2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID553852Antifungal activity against wild type Candida albicans 10261 in RPMI-1640 buffered medium after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553856Antifungal activity against fluconazole resistant Candida albicans isolate B4 overexpressing MDR1 in RPMI-1640 buffered medium after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553536Drug accumulation in Saccharomyces cerevisiae ADCDR2 expressing Candida albicans CDR2 efflux pump reenergized with glucose at pH 6.0 after 60 mins by fluorescamine staining2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553520Drug uptake in Saccharomyces cerevisiae ADCDR2 expressing Candida albicans CDR2 efflux pump at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID553853Antifungal activity against fluconazole sensitive Candida albicans isolate Gu4 in RPMI-1640 buffered medium after 24 hrs by microdilution method2008Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11
Enhanced susceptibility to antifungal oligopeptides in yeast strains overexpressing ABC multidrug efflux pumps.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID393857Anticancer activity against mouse EAC cells xenografted in Swiss albino mouse assessed as inhibition of ascitic cell count at 1 mg/kg2009European journal of medicinal chemistry, Jan, Volume: 44, Issue:1
Possible anticancer agents: QSAR analogs of glutamamide: synthesis and pharmacological activity of 1,5-N,N'-disubstituted-2-(substituted benzenesulphonyl) glutamamides.
AID393856Anticancer activity against mouse EAC cells xenografted in Swiss albino mouse assessed as inhibition of ascitic fluid weight at 1 mg/kg2009European journal of medicinal chemistry, Jan, Volume: 44, Issue:1
Possible anticancer agents: QSAR analogs of glutamamide: synthesis and pharmacological activity of 1,5-N,N'-disubstituted-2-(substituted benzenesulphonyl) glutamamides.
AID1224864HCS microscopy assay (F508del-CFTR)2016PloS one, , Volume: 11, Issue:10
Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (601)

TimeframeStudies, This Drug (%)All Drugs %
pre-1990418 (69.55)18.7374
1990's92 (15.31)18.2507
2000's46 (7.65)29.6817
2010's30 (4.99)24.3611
2020's15 (2.50)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 (%)
Trials3 (0.48%)5.53%
Reviews26 (4.17%)6.00%
Case Studies2 (0.32%)4.05%
Observational0 (0.00%)0.25%
Other593 (95.03%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
quinacrine[no description available]medium30acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
bupropion[no description available]medium20aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
3-methylcholanthrene[no description available]medium30ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
tacrine[no description available]medium40acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetaminophen[no description available]medium50acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
amiodarone[no description available]medium401-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium20carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
aspirin[no description available]medium60benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
bicalutamide[no description available]medium40(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
caffeine[no description available]medium70purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
carbamazepine[no description available]medium50dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
chlorcyclizine[no description available]medium20diarylmethane
chloroquine[no description available]medium50aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorpromazine[no description available]medium40organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
ciprofibrate[no description available]medium50cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
citalopram[no description available]medium402-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clofibrate[no description available]medium40aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomipramine[no description available]medium40dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
deferoxamine[no description available]medium20acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
diclofenac[no description available]medium40amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
diflunisal[no description available]medium60monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
donepezil[no description available]medium40aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxapram[no description available]medium20morpholines;
pyrrolidin-2-ones		central nervous system stimulant
ethyl loflazepate[no description available]medium20organic molecular entity
felbamate[no description available]medium50carbamate esteranticonvulsant;
neuroprotective agent
fenfluramine[no description available]medium20(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
fenofibrate[no description available]medium50aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fluoxetine[no description available]medium40(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flutamide[no description available]high60(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
gemfibrozil[no description available]medium60aromatic etherantilipemic drug
homochlorocyclizine[no description available]medium20diarylmethane
hydroxyurea[no description available]high91one-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
hydroxyurea[no description available]high90one-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
hydroxyzine[no description available]medium20hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
imipramine[no description available]medium20dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ketoconazole[no description available]medium40dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
maprotiline[no description available]medium40anthracenes
meclizine[no description available]medium20diarylmethane
metformin[no description available]medium40guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone[no description available]medium20benzenes;
diarylmethane;
ketone;
tertiary amino compound
methapyrilene[no description available]medium40ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
oxidopamine[no description available]medium20benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin
perhexiline[no description available]medium40piperidinescardiovascular drug
phenacetin[no description available]medium50acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenobarbital[no description available]medium40barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
procaine[no description available]medium30benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
suramin[no description available]medium20naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
temozolomide[no description available]medium30imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
tilorone[no description available]medium20aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
pirinixic acid[no description available]medium30aryl sulfide;
organochlorine compound;
pyrimidines
carbon tetrachloride[no description available]medium50chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
physostigmine[no description available]medium50carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
ethinyl estradiol[no description available]medium5017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
colchicine[no description available]medium90alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
chloroform[no description available]medium50chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
triparanol[no description available]medium30stilbenoidanticoronaviral agent
cyclizine[no description available]medium40N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
hydrazine[no description available]medium90azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
norchlorcyclizine[no description available]medium20
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine[no description available]medium20aromatic amine
cyproterone acetate[no description available]medium5020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
chlorphentermine[no description available]medium20amphetamines
emetine[no description available]medium30isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
1-naphthylisothiocyanate[no description available]medium40isothiocyanateinsecticide
erythromycin[no description available]medium70cyclic ketone;
erythromycin
paraquat[no description available]medium40organic cationgeroprotector;
herbicide
stavudine[no description available]medium50dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
clomacran[no description available]medium20acridines
iprindole[no description available]medium20indoles
ethionine[no description available]high120S-ethylhomocysteineantimetabolite;
carcinogenic agent
indoramin[no description available]medium20tryptamines
amineptin[no description available]medium30amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
zidovudine[no description available]medium60azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
tobramycin[no description available]medium50amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
etoposide[no description available]medium50beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
amikacin[no description available]medium20alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
methyldopa[no description available]medium50L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
nonachlazine[no description available]medium30
zileuton[no description available]medium401-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
hexestrol bis(diethylaminoethyl ether)[no description available]medium20stilbenoid
synthalin a[no description available]medium20guanidineshepatotoxic agent;
hypoglycemic agent;
nephrotoxin
disobutamide[no description available]medium20acetamides
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide[no description available]medium20
methotrexate[no description available]high371dicarboxylic 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
methotrexate[no description available]high370dicarboxylic 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
glucosamine[no description available]medium180D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
abacavir[no description available]medium402,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
netilmicin[no description available]medium30
clindamycin[no description available]medium30
dibekacin[no description available]medium30kanamycinsantibacterial agent;
protein synthesis inhibitor
sulindac[no description available]medium40monocarboxylic 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
thioacetamide[no description available]medium40thiocarboxamidehepatotoxic agent
tamoxifen[no description available]high50stilbenoid;
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
stilbamidine[no description available]medium20
zimeldine[no description available]medium20styrenes
ceftazidime[no description available]medium50cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
famotidine[no description available]medium401,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
dantrolene[no description available]medium20
gentamicin sulfate[no description available]medium30
azacosterol[no description available]medium20
hypoglycin a[no description available]medium20L-alpha-amino acid
amodiaquine hydrochloride[no description available]medium20
valproate sodium[no description available]medium10organic sodium saltgeroprotector
chlortetracycline[no description available]medium40
piroxicam[no description available]medium50benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
demeclocycline[no description available]medium30
rolitetracycline[no description available]medium20
rifampin[no description available]medium50cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium50benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
mitomycin[no description available]high110mitomycinalkylating agent;
antineoplastic agent
diazooxonorleucine[no description available]high490amino 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
alanine[no description available]medium10alpha-amino acid;
amino acid zwitterion		fundamental metabolite
fluconazole[no description available]medium30conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
3-fluorophenylalanine[no description available]medium10
aspartate-beta-hydroxamate[no description available]medium10
fr 109615[no description available]medium10
nikkomycin[no description available]medium10nikkomycinantifungal agent
alanyl-alanyl-alanine[no description available]medium10tripeptidemetabolite
alanylalanine[no description available]medium10dipeptide zwitterion;
dipeptide		Mycoplasma genitalium metabolite
chlordecone[no description available]medium10cyclic ketone;
organochlorine compound		insecticide;
persistent organic pollutant
aminocaproic acid[no description available]medium30amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
5,6-dimethylbenzimidazole[no description available]medium10dimethylbenzimidazoleEscherichia coli metabolite;
human metabolite
hexachlorocyclohexane[no description available]medium30chlorocyclohexane
parathion[no description available]medium10C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
pentachlorophenol[no description available]medium10aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
pyrazinamide[no description available]medium40monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
amitrole[no description available]medium20aromatic amine;
triazoles		carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide
phenytoin[no description available]medium50imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium10aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetazolamide[no description available]medium40monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide[no description available]medium30acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
albuterol[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
altretamine[no description available]medium20triamino-1,3,5-triazine
amantadine[no description available]medium20adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ametantrone[no description available]medium10
aminoglutethimide[no description available]high50dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
theophylline[no description available]medium50dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
2-aminothiazole[no description available]medium101,3-thiazoles;
primary amino compound
amlodipine[no description available]medium10dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
atenolol[no description available]medium40ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]high190aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azinphosmethyl[no description available]medium10benzotriazines;
organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bisoprolol[no description available]medium10secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromhexine[no description available]medium20organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic
bumetanide[no description available]medium40amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine[no description available]medium30aromatic amide;
piperidinecarboxamide;
tertiary amino compound
busulfan[no description available]high70methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
carbazilquinone[no description available]medium10organic molecular entity
carmofur[no description available]medium10organohalogen compound;
pyrimidines
carmustine[no description available]high20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carteolol[no description available]medium10quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
celiprolol[no description available]medium10aromatic ketone
chloral hydrate[no description available]medium20aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
chlorambucil[no description available]high30aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorpropamide[no description available]medium40monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium20isoindoles;
monochlorobenzenes;
sulfonamide
cimetidine[no description available]medium50aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
clenbuterol[no description available]medium10amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
cycloleucine[no description available]medium10non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor
dapsone[no description available]medium40substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
debrisoquin[no description available]medium10carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
diazoxide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dicamba[no description available]medium10dichlorobenzene;
methoxybenzoic acid		agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic
dichlorphenamide[no description available]medium10dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dicyclomine[no description available]medium10carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
diethylcarbamazine[no description available]medium30N-carbamoylpiperazine;
N-methylpiperazine
dimercaprol[no description available]medium30dithiol;
primary alcohol		chelator
dinitolmide[no description available]medium10dinitrotoluene
dipyridamole[no description available]medium60piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
dipyrone[no description available]medium10amino sulfonic acid;
pyrazoles		anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
disopyramide[no description available]medium10monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium30organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid[no description available]medium40branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
domperidone[no description available]medium20benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
ethinamate[no description available]medium10carbamate ester;
terminal acetylenic compound		sedative
ethosuximide[no description available]medium30dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
felodipine[no description available]medium20dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
berotek[no description available]medium20resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
flecainide[no description available]medium20aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
flucytosine[no description available]medium40aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorouracil[no description available]high220nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
furosemide[no description available]medium40chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
glutethimide[no description available]medium30piperidines
glyburide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
guanethidine[no description available]medium10azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hydralazine[no description available]medium10azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide[no description available]medium40benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
ibuprofen[no description available]medium40monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium30primary amine
lidocaine[no description available]medium50benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
amrinone[no description available]medium40bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium20indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
iproniazid[no description available]medium30carbohydrazide;
pyridines
isoniazid[no description available]medium40carbohydrazideantitubercular agent;
drug allergen
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
labetalol[no description available]medium40benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
mechlorethamine[no description available]medium80nitrogen mustard;
organochlorine compound		alkylating agent
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium30organic molecular entity
methoxyflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyclothiazide[no description available]medium10benzothiadiazine
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]medium30beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]medium10benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metronidazole[no description available]medium40C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletine[no description available]medium10aromatic ether;
primary amino compound		anti-arrhythmia drug
minoxidil[no description available]medium20dialkylarylamine;
tertiary amino compound
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
moclobemide[no description available]medium20benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
clorgyline[no description available]medium10aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
nalidixic acid[no description available]medium401,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nifedipine[no description available]medium40C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nimodipine[no description available]medium402-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nitrendipine[no description available]medium20C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nitroglycerin[no description available]medium10nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nylidrin[no description available]medium10alkylbenzene
oxprenolol[no description available]medium10aromatic ether
4-dichlorobenzene[no description available]medium30dichlorobenzeneinsecticide
pentamidine[no description available]medium10aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
perphenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacemide[no description available]medium10acetamides
phenazopyridine[no description available]medium10diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
phentermine[no description available]medium20primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
pipobroman[no description available]medium10N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent
polythiazide[no description available]medium10benzothiadiazine
prilocaine[no description available]medium10amino acid amide;
monocarboxylic acid amide		anticonvulsant;
local anaesthetic
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium40pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium40benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium40dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]high20benzamides;
hydrazines		antineoplastic agent
ranitidine[no description available]medium30aralkylamine
resorcinol[no description available]medium10benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser
semustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent
sulfadiazine[no description available]high20pyrimidines;
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]high30pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
sulfacetamide[no description available]medium20N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine[no description available]medium10sulfonamide antibioticantiinfective agent
sulfamethazine[no description available]medium20pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethoxazole[no description available]high40isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfamethoxypyridazine[no description available]medium20pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide[no description available]medium30substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine[no description available]medium10pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfasalazine[no description available]medium30
sulfathiazole[no description available]medium101,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sulfisoxazole[no description available]medium10isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
sulfoxone[no description available]medium10sulfonamide
tegafur[no description available]medium20organohalogen compound;
pyrimidines
terbutaline[no description available]medium10phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
thiabendazole[no description available]medium201,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
2,2'-thiodiethanol[no description available]medium10aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent
thiotepa[no description available]medium70aziridines
tolazamide[no description available]medium40N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium40N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
trichlormethiazide[no description available]medium20benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic
2,2',2''-trichlorotriethylamine[no description available]medium10
trimethadione[no description available]medium30oxazolidinoneanticonvulsant;
geroprotector
trimethoprim[no description available]medium40aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimetrexate[no description available]medium10
urethane[no description available]medium20carbamate esterfungal metabolite;
mutagen
vesamicol[no description available]medium20piperidines
reserpine[no description available]medium20alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
floxuridine[no description available]high90nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
triethylenemelamine[no description available]medium801,3,5-triazinesalkylating agent;
insect sterilant
allobarbital[no description available]medium10barbiturates
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
paramethasone[no description available]medium10fluorinated steroid
azauridine[no description available]high30N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
penicillin g[no description available]medium20penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
idoxuridine[no description available]medium40organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
chloramphenicol[no description available]high110C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
vincristine[no description available]medium10acetate 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
dromostanolone[no description available]medium1017beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
bromodeoxyuridine[no description available]high50pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
thiamine[no description available]medium10organic chloride salt;
vitamin B1
levodopa[no description available]medium30amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
methicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
zoxazolamine[no description available]medium10benzoxazole
aniline[no description available]medium10anilines;
primary arylamine
uracil mustard[no description available]medium40aminouracil;
nitrogen mustard
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cycloheximide[no description available]medium120antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
fluocinolone acetonide[no description available]medium2011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
triaziquone[no description available]high201,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent
ampicillin[no description available]medium20beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol[no description available]high20mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine[no description available]high91beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
cytarabine[no description available]high90beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
trifluridine[no description available]medium20nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
sulfobromophthalein sodium[no description available]medium10organic sodium saltdye
dalapon[no description available]medium10carboxylic acid;
organohalogen compound
methylpentynol[no description available]medium10ynone
methylprednisolone[no description available]medium406-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
penicillin v[no description available]medium10penicillin allergen;
penicillin
isosorbide dinitrate[no description available]medium30glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pseudoephedrine[no description available]medium10phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
fenoprop[no description available]medium10monocarboxylic acidphenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid[no description available]medium20chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin
dicloran[no description available]medium10aromatic fungicide;
dichlorobenzene;
nitroaniline		antifungal agrochemical
phenylhydrazine[no description available]medium10phenylhydrazinesxenobiotic
dyrene[no description available]medium10monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines		antifungal agrochemical
acrolein[no description available]medium10enalherbicide;
human xenobiotic metabolite;
toxin
tetraethylenepentamine[no description available]medium10polyazaalkanecopper chelator
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
chloranil[no description available]medium101,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
amiben[no description available]medium10chlorobenzoic acid
monuron[no description available]medium103-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes		environmental contaminant;
herbicide;
xenobiotic
iminodiacetic acid[no description available]medium10amino dicarboxylic acid;
glycine derivative;
non-proteinogenic alpha-amino acid		chelator
phenetidine[no description available]medium10aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
methylpentynol carbamate[no description available]medium10
mechlorethamine n-oxide[no description available]medium10nitrogen mustard
azacitidine[no description available]high40N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
linuron[no description available]medium10dichlorobenzene;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
carbutamide[no description available]medium10benzenes;
sulfonamide
betamethasone[no description available]medium3011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
hydantoins[no description available]medium10imidazolidine-2,4-dione
plumbagin[no description available]medium10hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
pamaquine[no description available]medium10aminoquinoline
mustard gas[no description available]medium10ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
medroxyprogesterone[no description available]medium2017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
apronalide[no description available]medium10N-acylurea
4,6-dinitro-o-cresol[no description available]medium10dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene		dinitrophenol insecticide;
fungicide;
herbicide
metahexamide[no description available]medium10benzenes;
sulfonamide
megestrol acetate[no description available]medium2020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
toyocamycin[no description available]medium10antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
hadacidin[no description available]medium20aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
carbophenothion[no description available]medium10organic sulfide
porfiromycin[no description available]medium10
vinblastine[no description available]medium20
deoxyuridine[no description available]medium20pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
testolactone[no description available]medium103-oxo-Delta(1),Delta(4)-steroid;
seco-androstane
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
pyrithioxin[no description available]medium10methylpyridines
nsc 65346[no description available]medium10nucleoside analogueprotein kinase inhibitor
guanazole[no description available]medium10aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
meturedepa[no description available]medium10phosphoramide
ioxynil[no description available]medium10iodophenol;
nitrile		environmental contaminant;
herbicide;
xenobiotic
bromoxynil[no description available]medium10dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic
picloram[no description available]medium10aminopyridine;
chloropyridine;
organochlorine pesticide;
pyridinemonocarboxylic acid		herbicide;
synthetic auxin
ethoglucid[no description available]medium10epoxide
azaribine[no description available]medium20acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug
1,3,5-triglycidyl-s-triazinetrione[no description available]medium10
acetophenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines		phenothiazine antipsychotic drug
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
improsan[no description available]medium10organosulfonic ester
streptomycin[no description available]high100antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
piperacetazine[no description available]medium10phenothiazines
beclomethasone[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
pentaquine[no description available]medium10
zalcitabine[no description available]medium30pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
isopentenyladenosine[no description available]medium10N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite
ancitabine[no description available]medium10diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
phenacid[no description available]medium10
xipamide[no description available]medium10benzamides
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pentamethylmelamine[no description available]medium20
calusterone[no description available]medium103-hydroxy steroidandrogen
danazol[no description available]medium3017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
lisuride[no description available]medium10monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
etoprine[no description available]medium10
daunorubicin[no description available]high40aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
razoxane[no description available]medium10N-alkylpiperazine
cephapirin[no description available]medium10cephalosporinantibacterial drug
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
bromocriptine[no description available]medium10indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
triamcinolone[no description available]medium1011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
azetepa[no description available]medium10phosphoramide
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
ripazepam[no description available]medium10benzenes
amoxicillin[no description available]medium30penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium10timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
prednimustine[no description available]medium10corticosteroid hormone
amygdalin[no description available]medium10cyanogenic glycoside;
disaccharide derivative;
gentiobioside		plant metabolite
paclitaxel[no description available]medium30taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
dobutamine[no description available]medium10catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
ticarcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
etidocaine[no description available]medium10amino acid amidelocal anaesthetic
cephradine[no description available]medium30beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
tocainide[no description available]medium10monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
sq-11725[no description available]medium40
nimustine[no description available]medium10aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
butibufen[no description available]medium10monoterpenoid
spiromustine[no description available]medium10
diaziquone[no description available]medium101,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
cefonicid[no description available]medium10cephalosporinantibacterial drug
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
triciribine phosphate[no description available]medium10
captopril[no description available]medium40alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
bw-755c[no description available]medium10
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
alfentanil[no description available]medium10monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
piritrexim[no description available]medium30
caracemide[no description available]medium10
bambuterol[no description available]medium30carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
quinapril[no description available]medium30dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
cilazapril, anhydrous[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
pyridazinodiazepine		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone[no description available]medium101,4-benzoquinones
morzid[no description available]medium10morpholines
febrifugine[no description available]medium10quinazolines
thymine arabinoside[no description available]medium10N-glycosyl compound
psicofuranine[no description available]medium10psicose derivative;
purine nucleoside
triciribine[no description available]medium10nucleoside analogueEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
5-chloro-2'-deoxyuridine[no description available]medium10
bendamustine[no description available]medium10benzimidazoles
trofosfamide[no description available]medium10ifosfamides
4-aminobenzoic acid-n-xyloside[no description available]medium10
fotrin[no description available]medium10
sufosfamide[no description available]medium10
propatyl nitrate[no description available]medium10nitrate ester
dexfenfluramine[no description available]medium10fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
sulfamidochrysoidine[no description available]medium10
ibopamine[no description available]medium10benzoate ester;
phenols
pumitepa[no description available]medium10
elmustine[no description available]medium10
forphenicinol[no description available]medium10
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
inproquone[no description available]medium10
neplanocin a[no description available]medium10
1-ethoxysilatrane[no description available]medium10
tretazicar[no description available]medium10
nsc-172755[no description available]medium10
streptovitacin a[no description available]medium10
cb 10375[no description available]medium10
carbenicillin indanyl[no description available]medium10penicillin
cb 1837[no description available]medium10
hexaphosphamide[no description available]medium10
dipin[no description available]medium10
phosphazine[no description available]medium10
diiodobenzotepa[no description available]medium10
icig 1163[no description available]medium10
bimolane[no description available]medium10
thiodipin[no description available]medium10
fluoxydine[no description available]medium10
imiphos[no description available]medium10
aldophosphamide[no description available]medium10nitrogen mustard
perindopril[no description available]medium20alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione[no description available]medium10
oxymatrine[no description available]medium10alkaloid;
tertiary amine oxide
1,1,2-trichloroethanol[no description available]medium10
iremycin[no description available]medium10
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine[no description available]medium10
hainanensine[no description available]medium10
ritrosulfan[no description available]medium10
damvar[no description available]medium10
benzo-tepa[no description available]medium10
tevenel[no description available]medium10sulfonamide
tac 278[no description available]medium10
aminopterin[no description available]medium100dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid[no description available]medium10
atropine[no description available]medium30
deflazacort[no description available]medium10corticosteroid hormone
hexestrol diphosphate[no description available]medium10
carbocysteine[no description available]medium10L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic
demecolcine[no description available]medium10alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent
nsc-89199[no description available]medium10carbamate ester;
organochlorine compound;
steroid phosphate
estramustine[no description available]medium1017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
phenethicillin[no description available]medium10penicillin allergen;
penicillin
indicine-n-oxide[no description available]medium10
trimethoprim, sulfamethoxazole drug combination[no description available]medium10
oxytocin[no description available]medium10heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
pentostatin[no description available]medium10coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
cefoxitin[no description available]medium30beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
bacampicillin[no description available]medium10penicillanic acid esterprodrug
angustibalin[no description available]medium10sesquiterpene lactone
metrizamide[no description available]medium10amino sugar
retinol[no description available]medium50retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
mycophenolic acid[no description available]high502-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]high20epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
formycin[no description available]medium10formycinantineoplastic agent
teniposide[no description available]medium10aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
cefamandole[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
melphalan[no description available]high50L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol[no description available]medium10alkylbenzene
aceglatone[no description available]medium10organic molecular entity
carbenoxolone[no description available]medium10
amygdalin[no description available]medium10amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
mitobronitol[no description available]medium10alcohol;
organobromine compound
leuprolide[no description available]medium10oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
octotropine methylbromide[no description available]medium20
fludarabine[no description available]medium10purine nucleoside
propylthiouracil[no description available]medium20pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
methylatropine nitrate[no description available]medium20
mercaptopurine[no description available]high531aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
mercaptopurine[no description available]high530aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
thioinosine[no description available]medium50
thiouracil[no description available]high20nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
methimazole[no description available]medium301,3-dihydroimidazole-2-thionesantithyroid drug
thioguanine anhydrous[no description available]high2702-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
digoxin[no description available]medium40cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
6-thioguanosine[no description available]medium10purine nucleoside
streptozocin[no description available]medium30
ethionamide[no description available]medium20pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
thiocarlide[no description available]medium10thioureas
mannomustine[no description available]medium10amino alcohol
gestodene[no description available]medium10steroidestrogen
glucametacin[no description available]medium10
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea[no description available]medium10
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
amphotericin b[no description available]medium40antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
cynarine[no description available]medium10alkyl caffeate ester;
quinic acid		plant metabolite
7432 s[no description available]medium10cephalosporin;
dicarboxylic acid		antibacterial drug
codeine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine[no description available]medium30homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
dihydrocodeine[no description available]medium10morphinane alkaloid
ly 163892[no description available]medium30carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
naloxone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
morphine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
pactamycin[no description available]medium10
anthramycin[no description available]medium10
lacidipine[no description available]medium10cinnamate ester;
tert-butyl ester
cytochalasin b[no description available]high30cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
irisquinone[no description available]medium10
mitoguazone[no description available]medium10guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
cefixime[no description available]medium10cephalosporinantibacterial drug;
drug allergen
ramipril[no description available]medium10azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
nitrofurazone[no description available]medium40
cefuroxime[no description available]medium103-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
ceftiofur[no description available]medium10
cilastatin[no description available]medium10carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
sibiromycin[no description available]medium10aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
1-methyl-d-lysergic acid butanolamide[no description available]medium10ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
nitrofurantoin[no description available]medium40imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
butylscopolammonium bromide[no description available]medium20
fumagillin[no description available]high10antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor
thioacetazone[no description available]medium10
treosulfan[no description available]medium10methanesulfonate ester
nkp 608[no description available]medium10
ganu[no description available]medium10
metamelfalan[no description available]medium10
vindesine[no description available]medium10
diflucortolone[no description available]medium1021-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose[no description available]medium10
ro 6-4563[no description available]medium10monoterpenoid
flucloronide[no description available]medium1021-hydroxy steroid
hainanolide[no description available]medium10
gliocladic acid[no description available]medium10p-menthane monoterpenoid
cleistanthin[no description available]medium10cleistanthins;
xylose derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
nimorazole[no description available]medium10
ascorbic acid[no description available]medium50ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
novobiocin[no description available]medium30carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium50
oxytetracycline, anhydrous[no description available]medium30
minocycline[no description available]medium10
bactobolin[no description available]medium10amino acid amide
mobiflex[no description available]medium20heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
acyclovir[no description available]medium202-aminopurines;
oxopurine		antimetabolite;
antiviral drug
dacarbazine[no description available]medium30dacarbazine
ganciclovir[no description available]medium202-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
allopurinol[no description available]high120nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
azaguanine[no description available]high80nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine[no description available]medium40
7-deazaguanosine[no description available]medium10
pyrazofurin[no description available]medium10C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate[no description available]medium10folic acids
5-methyltetrahydrohomofolic acid[no description available]medium10
ninopterin[no description available]medium10
ethylene dichloride[no description available]medium20chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
ethylene glycol[no description available]medium20ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
inositol[no description available]medium20cyclitol;
hexol
melatonin[no description available]medium20acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
niacin[no description available]high40pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
pyridoxine[no description available]medium30hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiamine[no description available]medium30primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2,4-dinitrophenol[no description available]medium20dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
albendazole[no description available]medium20aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
amoxapine[no description available]medium30dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
astemizole[no description available]medium30benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
benzbromarone[no description available]medium301-benzofurans;
aromatic ketone		uricosuric drug
bithionol[no description available]medium20aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol		antifungal agrochemical;
antiplatyhelmintic drug
buspirone[no description available]medium30azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
candesartan[no description available]medium20benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
chlorzoxazone[no description available]medium301,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
ciclopirox[no description available]medium20cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic
ciglitazone[no description available]medium20aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cisapride[no description available]medium20benzamides
clotrimazole[no description available]medium20conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cromolyn[no description available]medium20chromones;
dicarboxylic acid		anti-asthmatic drug;
calcium channel blocker
desipramine[no description available]medium30dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
carbonyl cyanide p-trifluoromethoxyphenylhydrazone[no description available]medium20aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore
fexofenadine[no description available]medium20piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
fipexide[no description available]medium20benzodioxoles
flufenamic acid[no description available]medium30aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flumazenil[no description available]medium30ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
flurbiprofen[no description available]medium30fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluspirilene[no description available]medium20diarylmethane
foscarnet[no description available]medium20carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
gabapentin[no description available]medium20gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
glafenine[no description available]medium20aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gliclazide[no description available]medium20N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
glimepiride[no description available]medium20sulfonamide
hexachlorophene[no description available]medium30bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hycanthone[no description available]medium30thioxanthenesmutagen;
schistosomicide drug
ifosfamide[no description available]medium20ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
indomethacin[no description available]medium30aromatic 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
avapro[no description available]medium20azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isocarboxazid[no description available]medium20benzenes
ketoprofen[no description available]medium30benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketotifen[no description available]medium20cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
leflunomide[no description available]medium30(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
losartan[no description available]medium30biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
mebendazole[no description available]medium20aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meclofenamate sodium anhydrous[no description available]medium30organic sodium salt
mefenamic acid[no description available]medium30aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
memantine[no description available]medium30adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
vitamin k 3[no description available]medium401,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
nocodazole[no description available]medium20aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
metolazone[no description available]medium20organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
mianserin[no description available]medium30dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole[no description available]medium20dichlorobenzene;
ether;
imidazoles
nefazodone[no description available]medium20aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nimesulide[no description available]medium30aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nisoldipine[no description available]medium20C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nomifensine[no description available]medium20isoquinolinesdopamine uptake inhibitor
oxaprozin[no description available]medium201,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxibendazole[no description available]medium20benzimidazoles;
carbamate ester
aminosalicylic acid[no description available]medium30aminobenzoic acid;
phenols		antitubercular agent
pamidronate[no description available]medium20phosphonoacetic acid
pargyline[no description available]medium30aromatic amine
pemoline[no description available]medium201,3-oxazolescentral nervous system stimulant
phenylbutazone[no description available]medium30pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
pinacidil[no description available]medium30pyridines
pindolol[no description available]medium20indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pioglitazone[no description available]medium20aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
praziquantel[no description available]medium30isoquinolines
propofol[no description available]medium20phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium30naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyrimethamine[no description available]medium40aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
raloxifene[no description available]medium201-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
riluzole[no description available]medium30benzothiazoles
risperidone[no description available]medium201,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
sulfabenzamide[no description available]medium30benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug
sulfamethizole[no description available]medium30sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfinpyrazone[no description available]medium20pyrazolidines;
sulfoxide		uricosuric drug
sumatriptan[no description available]medium30sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
gatifloxacin[no description available]medium20N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
terfenadine[no description available]medium30diarylmethane
ticlopidine[no description available]medium20monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tolmetin[no description available]medium20aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
trifluoperazine[no description available]medium20N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
troglitazone[no description available]medium20chromanes;
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
ici 204,219[no description available]medium20carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zolpidem[no description available]medium20imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zomepirac[no description available]medium20aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
oxyphenonium[no description available]medium20acylcholine
cephaloridine[no description available]medium20beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
sorbitol[no description available]medium20glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
isoproterenol hydrochloride[no description available]medium20catechols
spironolactone[no description available]medium203-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
prednisone[no description available]high12111-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
prednisone[no description available]high12011-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]medium3017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
promazine hydrochloride[no description available]medium30hydrochloride
2-acetylaminofluorene[no description available]medium302-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
pilocarpine[no description available]medium20pilocarpineantiglaucoma drug
triiodothyronine[no description available]medium202-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
isonicotinic acid[no description available]medium10pyridinemonocarboxylic acidalgal metabolite;
human metabolite
promethazine hydrochloride[no description available]medium30hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
acetylcholine chloride[no description available]medium30quaternary ammonium salt
methoxamine hydrochloride[no description available]medium30dimethoxybenzene
dimethylnitrosamine[no description available]medium30nitrosaminegeroprotector;
mutagen
lactose[no description available]medium20lactose
primaquine phosphate[no description available]medium20
gallamine triethiodide[no description available]medium20
dimethylformamide[no description available]medium10formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
norethindrone[no description available]medium2017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
medroxyprogesterone acetate[no description available]medium3020-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
mestranol[no description available]medium3017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
arginine[no description available]medium30arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
tromethamine[no description available]medium20primary amino compound;
triol		buffer
trichloroethylene[no description available]medium20chloroethenesinhalation anaesthetic;
mouse metabolite
rotenone[no description available]high40organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
hexachlorobutadiene[no description available]medium10organochlorine compound
phenothiazine[no description available]medium30phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
2-bromophenol[no description available]medium20bromophenolmarine metabolite
3-dinitrobenzene[no description available]medium10dinitrobenzeneneurotoxin
pyridostigmine bromide[no description available]medium30pyridinium salt
4,4'-diaminodiphenylmethane[no description available]medium20aromatic amineallergen;
carcinogenic agent
phenylisothiocyanate[no description available]medium20isothiocyanateallergen;
reagent
4-bromophenol[no description available]medium20bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
2-bromoethylamine[no description available]medium20
allyl alcohol[no description available]medium20primary allylic alcohol;
propenol		antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
bromobenzene[no description available]medium20bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
imipramine hydrochloride[no description available]medium30hydrochlorideantidepressant
mephobarbital[no description available]medium20barbituratesanticonvulsant
edrophonium chloride[no description available]medium30chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
di-n-pentyl phthalate[no description available]medium20diester;
phthalate ester		plasticiser
cinchophen[no description available]medium30quinolines
phenazopyridine hydrochloride[no description available]medium30hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
tetrracaine hydrochloride[no description available]medium30benzoate ester
diphenhydramine hydrochloride[no description available]medium30hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
tripelennamine hydrochloride[no description available]medium30
ethynodiol diacetate[no description available]medium20steroid ester;
terminal acetylenic compound		contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive
monocrotaline[no description available]medium20pyrrolizidine alkaloid
pseudoephedrine hydrochloride[no description available]medium20hydrochlorideplant metabolite
procarbazine hydrochloride[no description available]medium20hydrochlorideantineoplastic agent
lithocholic acid[no description available]medium20bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
chenodeoxycholic acid[no description available]medium20bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
amitriptyline hydrochloride[no description available]medium30organic tricyclic compound
isoxsuprine hydrochloride[no description available]medium30alkylbenzene
betaine hydrochloride[no description available]medium20
acetylcysteine[no description available]medium40acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
3-hydroxyacetanilide[no description available]medium20acetamides;
phenols		non-narcotic analgesic
methoxyacetic acid[no description available]medium20ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
cyproheptadine hydrochloride (anhydrous)[no description available]medium30hydrochloride
vancomycin[no description available]medium20glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
pregnenolone carbonitrile[no description available]medium20aliphatic nitrile
ibufenac[no description available]medium20monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzodioxine[no description available]medium10polychlorinated dibenzodioxine
pimozide[no description available]medium30benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
clonidine hydrochloride[no description available]medium20dichlorobenzene
cladribine[no description available]medium30organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
ethylene dimethanesulfonate[no description available]medium20
mexiletine hydrochloride[no description available]medium20hydrochlorideanti-arrhythmia drug
beclomethasone dipropionate[no description available]medium2011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester		anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug
vidarabine[no description available]medium20beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
metoclopramide hydrochloride[no description available]medium30
carbendazim[no description available]medium20benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
disopyramide phosphate[no description available]medium20organoammonium phosphate
ursodeoxycholic acid[no description available]medium20bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
butylated hydroxytoluene[no description available]medium20phenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
moricizine hydrochloride[no description available]medium30hydrochlorideanti-arrhythmia drug
pirprofen[no description available]medium20pyrroline
serentil[no description available]medium20organosulfonate saltdopaminergic antagonist;
first generation antipsychotic
propafenone hydrochloride[no description available]medium30hydrochlorideanti-arrhythmia drug
ribavirin[no description available]high401-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa[no description available]medium20catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
ticrynafen[no description available]medium20aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
bezafibrate[no description available]medium30aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
benoxaprofen[no description available]medium201,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
permethrin[no description available]medium20cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
flecainide acetate[no description available]medium30acetate saltanti-arrhythmia drug
nicardipine hydrochloride[no description available]medium30dihydropyridinegeroprotector
epirubicin[no description available]medium20aminoglycoside;
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
indacrinone[no description available]medium20
paroxetine[no description available]medium20aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
butoconazole nitrate[no description available]medium20aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
cefadroxil anhydrous[no description available]medium20cephalosporinantibacterial drug
fialuridine[no description available]medium20
mitoxantrone hydrochloride[no description available]medium20hydrochlorideantineoplastic agent
cefotetan[no description available]medium20
atomoxetine[no description available]medium20aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
alpidem[no description available]medium20imidazoles
temafloxacin[no description available]medium20amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
clinafloxacin[no description available]medium20quinolines
mibefradil[no description available]medium20tetralinsT-type calcium channel blocker
bromfenac[no description available]medium20aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
lamivudine[no description available]medium20monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
valsartan[no description available]medium20biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
tasosartan[no description available]medium20biphenyls
saquinavir monomethanesulfonate[no description available]medium20organic molecular entity
adenosine[no description available]medium70adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
allyl formate[no description available]medium20
desferrioxamine b mesylate[no description available]medium20methanesulfonate saltantidote;
ferroptosis inhibitor;
iron chelator
bupropion hydrochloride[no description available]medium20aromatic ketone
trazodone hydrochloride[no description available]medium30hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
trovafloxacin[no description available]medium20
verapamil hydrochloride[no description available]medium30
ciprofloxacin hydrochloride anhydrous[no description available]medium20hydrochlorideantibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
amantadine hydrochloride[no description available]medium30hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist
dobutamine hydrochloride[no description available]medium20hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
iopamidol[no description available]medium20benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic
sulconazole, mononitrate, (+-)-isomer[no description available]medium30conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
telmisartan[no description available]medium20benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
trimethobenzamide monohydrochloride[no description available]medium20
amiloride hydrochloride[no description available]medium20hydratediuretic;
sodium channel blocker
econazole nitrate[no description available]medium30
sertraline[no description available]medium30dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
lomefloxacin hydrochloride[no description available]medium20hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
flunoxaprofen[no description available]medium201,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
tianeptine[no description available]medium20dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
loperamide hydrochloride[no description available]medium30hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
grepafloxacin[no description available]medium20fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
2-naphthylisothiocyanate[no description available]medium20
rosiglitazone[no description available]medium20aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
chloroquine diphosphate[no description available]medium20
orphenadrine citrate[no description available]medium20citrate saltH1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
ketorolac tromethamine[no description available]medium20organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
clarithromycin[no description available]medium30macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
n-(3,5-dichlorophenyl)succinimide[no description available]medium20pyrrolidines
phentolamine mesylate[no description available]medium30
oxybutynin hydrochloride[no description available]medium30hydrochloride
1-cyano-2-hydroxy-3-butene[no description available]medium10secondary alcohol
cordium[no description available]medium20hydrate;
hydrochloride
bosentan anhydrous[no description available]medium20primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
dilevalol[no description available]medium102-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
nsc-141549[no description available]medium20
levofloxacin[no description available]medium309-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
naproxen[no description available]medium20methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
biotin[no description available]medium60biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
aflatoxin b1[no description available]medium30aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
troleandomycin[no description available]medium20acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
fludrocortisone acetate[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone
vincristine sulfate[no description available]medium20organic sulfate saltantineoplastic agent;
geroprotector
acivicin[no description available]high100isoxazoles;
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
ritonavir[no description available]medium201,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
puromycin[no description available]high140puromycinsantiinfective 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
(+)-limonene[no description available]medium20limoneneplant metabolite
quinidine[no description available]medium30cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
griseofulvin[no description available]medium301-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
moxalactam disodium[no description available]medium20
mometasone furoate[no description available]medium2011beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester		anti-allergic agent;
anti-inflammatory drug
nortriptyline hydrochloride[no description available]medium30organic tricyclic compoundgeroprotector
erythromycin estolate[no description available]medium20aminoglycoside sulfate salt;
erythromycin derivative		enzyme inhibitor
kanamycin sulfate[no description available]medium20aminoglycoside sulfate saltantibacterial drug;
geroprotector
paromomycin sulfate[no description available]medium20
chloramphenicol palmitate[no description available]medium20hexadecanoate ester
calcium pantothenate[no description available]medium20polymer
doxorubicin hydrochloride[no description available]medium20anthracycline
maleic acid[no description available]medium20butenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
tretinoin[no description available]high40retinoic 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
cyanoginosin lr[no description available]medium20microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
cerivastatin[no description available]medium20dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
zithromax[no description available]medium30macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
drf 2725[no description available]medium20
dactinomycin[no description available]medium370actinomycinmutagen
sodium bicarbonate[no description available]medium10one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
arsenic trioxide[no description available]medium20arsenic oxideantineoplastic agent;
insecticide
idarubicin hydrochloride[no description available]medium20anthracycline
carbenoxolone sodium[no description available]medium20triterpenoid
thiothixene[no description available]medium30N-methylpiperazineanticoronaviral agent
capsaicin[no description available]medium20capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
(1R,2S)-tranylcypromine hydrochloride[no description available]medium20hydrochloride
hmr 3647[no description available]medium20
quinine[no description available]medium20cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
tolcapone[no description available]medium202-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
retinol palmitate[no description available]medium20all-trans-retinyl ester;
retinyl palmitate		antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite
vitamin d 2[no description available]medium20hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
eprosartan[no description available]medium20dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
montelukast[no description available]medium20aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
timolol maleate[no description available]medium30maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
brompheniramine maleate[no description available]medium30maleate saltanti-allergic agent
chlorpheniramine maleate[no description available]medium20organic molecular entity
clemastine fumarate[no description available]medium20fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
methylergonovine maleate[no description available]medium20ergoline alkaloidgeroprotector
entacapone[no description available]medium202-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
estradiol-17 beta-glucuronide[no description available]medium203-hydroxy steroid;
steroid glucosiduronic acid
isotretinoin[no description available]medium20retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
cis-flupenthixol dihydrochloride[no description available]medium10hydrochloridegeroprotector
phenoxybenzamine hydrochloride[no description available]medium30organic molecular entity
acitretin[no description available]medium20acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
nalmefene[no description available]medium30morphinane alkaloid
furazolidone[no description available]medium30
fluvoxamine[no description available]medium30(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
octylmethoxycinnamate[no description available]medium20cinnamate ester
naltrexone[no description available]medium20cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
lisinopril[no description available]medium20dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril[no description available]medium20benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
vinblastine sulfate[no description available]medium30
trientine hydrochloride[no description available]medium20
dextromethorphan hydrobromide[no description available]medium20hydrate;
hydrobromide
fenoterol[no description available]medium20hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
aztreonam[no description available]medium20beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
enclomiphene citrate[no description available]medium10
diphenoxylate hydrochloride[no description available]medium20hydrochlorideantidiarrhoeal drug
ergonovine maleate[no description available]medium20maleate saltdiagnostic agent;
oxytocic
dantrolene sodium[no description available]medium20
ursodoxicoltaurine[no description available]medium10bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent
molindone hydrochloride[no description available]medium20indoles
baci-im[no description available]medium20homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
cytidine diphosphate choline[no description available]medium20nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite
clindamycin hydrochloride[no description available]medium20S-glycosyl compound
quinine sulfate[no description available]medium20hydrate
cefotiam hydrochloride[no description available]medium20
potassium aminobenzoate[no description available]medium20
methicillin sodium[no description available]medium20organic sodium salt
nafcillin sodium[no description available]medium30organic sodium salt
penicillin g sodium[no description available]medium20organic sodium salt
cefamandole nafate[no description available]medium30organic sodium saltantibacterial drug
cephapirin sodium[no description available]medium20cephalosporin;
organic sodium salt		antibacterial drug
sodium cephalothin[no description available]medium20organic sodium salt
dicloxacillin sodium[no description available]medium20hydrate
azlocillin sodium[no description available]medium20organic sodium salt
acenocoumarol[no description available]medium30C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
isoxicam[no description available]medium20benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium20benzenes;
hydroxycoumarin;
methyl ketone
chlortetracycline hydrochloride[no description available]medium20
methacycline monohydrochloride[no description available]medium20
minocycline hydrochloride[no description available]medium20
demeclocycline hydrochloride[no description available]medium30
folic acid[no description available]medium60folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
didanosine[no description available]medium20purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
citrovorum factor[no description available]medium20tetrahydrofolic acid
rifabutin[no description available]medium20
ambroxol[no description available]medium10aromatic amine
benzamide[no description available]medium10benzamides
diazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
haloperidol[no description available]medium20aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
loratadine[no description available]medium20benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
nortriptyline[no description available]medium10organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ofloxacin[no description available]medium203-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
sotalol[no description available]medium10ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
thioridazine[no description available]medium10phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
tripelennamine[no description available]medium10aromatic amine
lysergic acid diethylamide[no description available]medium10ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound		dopamine agonist;
hallucinogen;
serotonergic agonist
prenylamine[no description available]medium10diarylmethane
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
noxiptilin[no description available]medium10organic tricyclic compound
cloforex[no description available]medium10amphetamines
trospectomycin[no description available]medium10dioxanes
clociguanil[no description available]medium10
gentamicin c1[no description available]medium10
5-hydroxydopamine[no description available]medium10catecholamine
l 694,458[no description available]medium10
bilirubin[no description available]medium20biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
abt-770[no description available]medium10
9-n-(1-propyl)erythromyclamine[no description available]medium10
4-aminophenol[no description available]medium10aminophenolallergen;
metabolite
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
sulfobromophthalein[no description available]medium102-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
telenzepine[no description available]medium10benzodiazepine
diquat[no description available]medium10organic cationdefoliant;
herbicide
n-pentanoic acid[no description available]medium10short-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
lovastatin[no description available]medium20delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
tolrestat[no description available]medium10naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
simvastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
diltiazem hydrochloride[no description available]medium20hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
cox 189[no description available]medium10amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
olmesartan[no description available]medium10biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
lapatinib[no description available]medium10furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
taurolithocholic acid[no description available]medium10bile acid taurine conjugate;
monocarboxylic acid amide		human metabolite
flupenthixol[no description available]medium10flupenthixoldopaminergic antagonist
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium10dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
indinavir sulfate[no description available]medium10azaheterocycle sulfate salt
ximelagatran[no description available]medium10amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
ampicillin sodium[no description available]medium20organic sodium salt
mobic[no description available]medium201,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
sudoxicam[no description available]medium10
gamma-aminobutyric acid[no description available]medium20amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
9-xylosyladenine[no description available]medium10purine nucleoside
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
malic acid[no description available]medium102-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite
phosphonoacetic acid[no description available]medium10monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
histamine[no description available]medium10aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
naringenin[no description available]medium104'-hydroxyflavanones;
trihydroxyflavanone
niacinamide[no description available]high150pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
pyrazinoic acid[no description available]medium10pyrazinecarboxylic acidantitubercular agent;
drug metabolite
1,10-phenanthroline[no description available]medium10phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-dipropyl-8-cyclopentylxanthine[no description available]medium10oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2,2'-dipyridyl[no description available]medium10bipyridinechelator;
ferroptosis inhibitor
ro 5-4864[no description available]medium10
4-aminopyridine[no description available]medium10aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker
5,8,11,14-eicosatetraynoic acid[no description available]medium10long-chain fatty acid
5-fluoroindole-2-carboxylic acid[no description available]medium10indolyl carboxylic acid
etofylline[no description available]medium10oxopurine
7-nitroindazole[no description available]medium10
aa 861[no description available]medium101,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
acetarsol[no description available]medium10acetamides;
anilide
aniracetam[no description available]medium10N-acylpyrrolidine;
pyrrolidin-2-ones
anisindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant;
vitamin K antagonist
azelaic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
bay-k-8644[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
bendroflumethiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzothiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisacodyl[no description available]medium10diarylmethane
brimonidine[no description available]medium10imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
bufexamac[no description available]medium10aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
butacaine[no description available]medium10benzoate ester
butamben[no description available]medium10amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
carisoprodol[no description available]medium10carbamate estermuscle relaxant
cilostazol[no description available]medium10lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
cinoxacin[no description available]medium10cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide[no description available]medium10sulfonamide
deferiprone[no description available]medium104-pyridonesiron chelator;
protective agent
dibucaine[no description available]medium10aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
dichlorophen[no description available]medium10bridged diphenyl fungicide;
diarylmethane
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
dipropizine[no description available]medium10piperazines
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
ebselen[no description available]medium10benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
ellipticine[no description available]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
epirizole[no description available]medium10aromatic ether
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
myambutol[no description available]medium10amino alcohol
ethoxzolamide[no description available]medium10aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
4-biphenylylacetic acid[no description available]medium10biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
fenbufen[no description available]medium104-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
flumequine[no description available]medium103-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic
glipizide[no description available]medium10aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
fluorometholone[no description available]medium10
1-(5-isoquinolinesulfonyl)-2-methylpiperazine[no description available]medium10isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor
harmaline[no description available]medium10harmala alkaloidoneirogen
hexamethylene bisacetamide[no description available]medium10acetamides
hydroflumethiazide[no description available]medium10benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
indoprofen[no description available]medium10gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ipriflavone[no description available]medium10aromatic ether;
isoflavones		bone density conservation agent
itraconazole[no description available]medium10piperazines
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
lamotrigine[no description available]medium101,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazole[no description available]medium20benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
ly 171883[no description available]medium10acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
edaravone[no description available]medium10pyrazoloneantioxidant;
radical scavenger
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
acecainide[no description available]medium10acetamides;
benzamides		anti-arrhythmia drug
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamide[no description available]medium10organonitrogen compound;
organooxygen compound
niflumic acid[no description available]medium10aromatic carboxylic acid;
pyridines
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
cm 7116[no description available]medium10benzodiazepine
omeprazole[no description available]medium20aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
pentoxifylline[no description available]medium10oxopurine
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
phenolphthalein[no description available]medium10phenols
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piracetam[no description available]medium10organonitrogen compound;
organooxygen compound
pirenperone[no description available]medium10aromatic ketone
prochlorperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
proxyphylline[no description available]medium10oxopurine
pf 5901[no description available]medium10quinolines
ritanserin[no description available]medium10organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
rolipram[no description available]medium10pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ronidazole[no description available]medium10C-nitro compound;
carbamate ester;
imidazoles		antiparasitic agent;
antiprotozoal drug
salicylamide[no description available]medium10phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
spiperone[no description available]medium10aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
aldactazide[no description available]medium10steroid lactone
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
terazosin[no description available]medium10furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
trapidil[no description available]medium10triazolopyrimidines
tyramine[no description available]medium10monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
xylazine[no description available]medium101,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
zopiclone[no description available]medium10monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
oxyphenonium bromide[no description available]medium10
corticosterone[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
neostigmine methylsulfate[no description available]medium10arylammonium sulfate saltEC 3.1.1.8 (cholinesterase) inhibitor
prednisolone acetate[no description available]medium10corticosteroid hormone
trichlorfon[no description available]medium10organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
androsterone[no description available]medium1017-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
pilocarpine hydrochloride[no description available]medium10hydrochloride
dimethylphenylpiperazinium iodide[no description available]medium10N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist
desoxycorticosterone acetate[no description available]medium10corticosteroid hormone
benzyltrimethylammonium chloride[no description available]medium10
uridine[no description available]medium60uridinesdrug metabolite;
fundamental metabolite;
human metabolite
tolazoline hydrochloride[no description available]medium10benzenes
papaverine hydrochloride[no description available]medium10
bretylium tosylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
methacholine chloride[no description available]medium10quaternary ammonium salt
androstenedione[no description available]medium1017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
desoxycorticosterone[no description available]medium1020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
norethynodrel[no description available]medium10oxo steroid
17-alpha-hydroxyprogesterone[no description available]medium1017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
chlorpromazine hydrochloride[no description available]medium10hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug
cytarabine hydrochloride[no description available]medium10
4-hydroxypropiophenone[no description available]medium10acetophenones
isopropamide iodide[no description available]medium10diarylmethane
lidocaine hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug;
local anaesthetic
triamcinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
dehydrocholic acid[no description available]medium1012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
9,10-phenanthrenequinone[no description available]medium10phenanthrenes
mecoprop[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes
arsanilic acid[no description available]medium10organoarsonic acid
3-aminobenzoic acid[no description available]medium10aminobenzoic acid
thiodipropionic acid[no description available]medium10dicarboxylic acid
neostigmine bromide[no description available]medium10bromide salt
maltol[no description available]medium104-pyranonesmetabolite
methapyrilene hydrochloride[no description available]medium10hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
protocatechualdehyde[no description available]medium10dihydroxybenzaldehyde
20-alpha-dihydroprogesterone[no description available]medium1020-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite
2-chloroadenosine[no description available]medium10purine nucleoside
quinestrol[no description available]medium1017-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
propantheline bromide[no description available]medium10xanthenes
chlormadinone acetate[no description available]medium10corticosteroid hormone
ethamivan[no description available]medium10methoxybenzenes;
phenols
pargyline hydrochloride[no description available]medium10
orphenadrine hydrochloride[no description available]medium10hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
fluocinonide[no description available]medium10organic molecular entity
fluorometholone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
xanthinol niacinate[no description available]medium10
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
podophyllotoxin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
tetrahydrozoline hydrochloride[no description available]medium10hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
1,2-naphthoquinone[no description available]medium101,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
naphazoline hydrochloride[no description available]medium10organic molecular entity
4,4'-bipyridyl[no description available]medium10bipyridine
doxylamine succinate[no description available]medium10organic molecular entity
monoacetyldapsone[no description available]medium10acetamides;
anilide;
secondary carboxamide;
sulfone
formestane[no description available]medium1017-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene[no description available]medium10chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
aminacrine[no description available]medium10
bethanechol chloride[no description available]medium10carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist
2-hydroxyacetanilide[no description available]medium10acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
clopamide[no description available]medium10sulfonamide
phosmet[no description available]medium10organic thiophosphate;
organothiophosphate insecticide;
phthalimides		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
levonorgestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
malononitrile dimer[no description available]medium10
diphenyl disulfide[no description available]medium10benzenes
estradiol valerate[no description available]medium10steroid ester
tetramethylpyrazine[no description available]medium10alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
2,2'-dipyridylamine[no description available]medium10
flurandrenolone[no description available]medium1021-hydroxy steroid
diethylcarbamazine citrate[no description available]medium10piperazinecarboxamide
azacyclonol[no description available]medium10diarylmethane
5 alpha-androstane-3 alpha,17 beta-diol[no description available]medium10androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
guaiacoxyacetic acid[no description available]medium10
methylene diphosphonate[no description available]medium101,1-bis(phosphonic acid)bone density conservation agent;
chelator
amiloride hydrochloride, anhydrous[no description available]medium10hydrochloridediuretic;
sodium channel blocker
flumethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
hydrocortisone hemisuccinate[no description available]medium10dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone
antazoline hydrochloride[no description available]medium10
mebeverine hydrochloride[no description available]medium10
clidinium bromide[no description available]medium10
diloxanide furoate[no description available]medium10carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide		antiamoebic agent;
prodrug
nitroxoline[no description available]medium10C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent
alverine citrate[no description available]medium10citrate salt;
organoammonium salt		antispasmodic drug;
cholinergic antagonist
cyclogyl[no description available]medium10
isoetharine mesylate[no description available]medium10
6-nitroindazole[no description available]medium10
hydrocortisone-17-butyrate[no description available]medium10butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen
benserazide hydrochloride[no description available]medium10hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
eedq[no description available]medium10
ornidazole[no description available]medium10C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
tetridamin[no description available]medium10
metergoline[no description available]medium10carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist
capobenic acid[no description available]medium10benzamides
thymolphthalein[no description available]medium10terpene lactone
clobetasol propionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug
frentizole[no description available]medium10
eterobarb[no description available]medium10barbiturates
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
proroxan hydrochloride[no description available]medium10
etomidate[no description available]medium10imidazoles
buspirone hydrochloride[no description available]medium10hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
picobenzide[no description available]medium10
triadimenol[no description available]medium10aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
terazosin hydrochloride anhydrous[no description available]medium10
pergolide mesylate[no description available]medium10methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
cerm-1978[no description available]medium10hydrochloride
dazoxiben hydrochloride[no description available]medium10
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
tobramycin sulfate[no description available]medium10
benzylaminopurine[no description available]medium106-aminopurinescytokinin;
plant metabolite
fluoxetine hydrochloride[no description available]medium10hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
doxazosin mesylate[no description available]medium10methanesulfonate saltgeroprotector
norharman[no description available]medium10beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
desipramine hydrochloride[no description available]medium10hydrochloridedrug allergen
ticlopidine hydrochloride[no description available]medium10hydrochloride
dopamine hydrochloride[no description available]medium10catecholamine
acetylcholine bromide[no description available]medium10bromide salt;
quaternary ammonium salt
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
tryptamide[no description available]medium10
trihexyphenidyl hydrochloride[no description available]medium10aralkylamine
oxyphencyclimine hydrochloride[no description available]medium10pyrimidines
thioridazine hydrochloride[no description available]medium10hydrochloridefirst generation antipsychotic;
geroprotector
diphenylpyraline hydrochloride[no description available]medium10hydrochloridecholinergic antagonist;
H1-receptor antagonist
procainamide hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
siquil[no description available]medium10hydrochlorideanticoronaviral agent
mepivacaine hydrochloride[no description available]medium10hydrochloride;
piperidinecarboxamide		local anaesthetic
oxymetazoline hydrochloride[no description available]medium10hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
diphenidol hydrochloride[no description available]medium10diarylmethane
alprenolol hydrochloride[no description available]medium10hydrochloride
edoxudin[no description available]medium10pyrimidine 2'-deoxyribonucleoside
2-methoxyestradiol[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
6-ketoestradiol[no description available]medium10
17 beta-estradiol hemisuccinate[no description available]medium10
amizyl[no description available]medium10
salicylhydroxamic acid[no description available]medium10hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
1,7-phenanthroline[no description available]medium10phenanthroline
3-fluoro-4-hydroxyphenylacetic acid[no description available]medium10
dyclonine hydrochloride[no description available]medium10hydrochloridetopical anaesthetic
clomipramine hydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug
prazosin hydrochloride[no description available]medium10hydrochloride
mianserin hydrochloride[no description available]medium10hydrochloridegeroprotector
miconazole nitrate[no description available]medium10
2,4-dimethoxybenzaldehyde[no description available]medium10
enrofloxacin[no description available]medium10cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent
clobetasone butyrate[no description available]medium10organic molecular entity
loxapine succinate[no description available]medium10succinate saltgeroprotector
guanfacine hydrochloride[no description available]medium10acetamidesgeroprotector
labetalol hydrochloride[no description available]medium10salicylamides
diflorasone diacetate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug
acecainide hydrochloride[no description available]medium10
maprotiline hydrochloride[no description available]medium10anthracenes
hydroxyzine dihydrochloride[no description available]medium10
betamipron[no description available]medium10organonitrogen compound;
organooxygen compound
secnidazole[no description available]medium10C-nitro compound;
imidazoles;
secondary alcohol		epitope
ergocornine[no description available]medium10ergot alkaloid
pramoxine hydrochloride[no description available]medium10aromatic ether
butyrylcholine chloride[no description available]medium10
1-benzylimidazole[no description available]medium10
chloropyramine hydrochloride[no description available]medium10
6-aminoindazole[no description available]medium10indazoles
5-aminoindazole[no description available]medium10
2-methylhippuric acid[no description available]medium10N-acylglycinemetabolite
prilocaine hydrochloride[no description available]medium10hydrochloridelocal anaesthetic
meclizine hydrochloride[no description available]medium10
11-hydroxyprogesterone, (11alpha)-isomer[no description available]medium1011alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid
malic acid, (r)-isomer[no description available]medium10malic acid
21-deoxycortisol[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite
estrone 3-methyl ether[no description available]medium10
e-250[no description available]medium10
rac-glycerol 1-monodecanoate[no description available]medium10rac-1-monoacylglycerol
nipecotic acid amide[no description available]medium10piperidinecarboxamide
levcromakalim[no description available]medium101-benzopyran
tachistin[no description available]medium10
cortisol octanoate[no description available]medium10corticosteroid hormone
armepavine[no description available]medium10
n(6)-phenyladenosine[no description available]medium10purine nucleoside
mizoribine[no description available]medium20imidazolesanticoronaviral agent
alphaxalone[no description available]medium10corticosteroid hormone
bicuculline methiodide[no description available]medium10
beta-carboline-3-carboxylic acid ethyl ester[no description available]medium10beta-carbolines
tryptoline[no description available]medium10beta-carbolines
gamma-fagarine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
betaxolol hydrochloride[no description available]medium10hydrochlorideantihypertensive agent;
beta-adrenergic antagonist
Zearalanone[no description available]medium10macrolide;
resorcinols
butethamate citrate[no description available]medium10
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol[no description available]medium10piperidines
gallopamil hydrochloride[no description available]medium10
histamine dihydrochloride[no description available]medium10
1,3-dimethylbenzimidazoline-2-thione[no description available]medium10
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium10leucine derivative
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer[no description available]medium10
dichloro-1,2-diaminocyclohexane platinum complex[no description available]medium10
1,4-di(2'-thienyl)-1,4-butadione[no description available]medium10
idazoxan hydrochloride[no description available]medium10
methyl 5-aminolevulinate hydrochloride[no description available]medium10hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
antazoline phosphate[no description available]medium10
pridinol mesylate[no description available]medium10
17 alpha-hydroxyprogesterone caproate[no description available]medium10corticosteroid hormone
5-fluorotryptamine monohydrochloride[no description available]medium10
piribedil mesylate[no description available]medium10
serc[no description available]medium10
procyclidine hydrochloride[no description available]medium10hydrochloride
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one[no description available]medium10macrolide
cortisone[no description available]medium2011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
equilin[no description available]medium1017-oxo steroid;
3-hydroxy steroid
adrenosterone[no description available]medium1011-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite
gossypol acetic acid[no description available]medium10
epinastine[no description available]medium10corticosteroid hormone
benzatropine methanesulfonate[no description available]medium10
4',6-dihydroxy-5,7-dimethoxyflavone[no description available]medium10dihydroxyflavone;
dimethoxyflavone
2-hydroxyestradiol[no description available]medium1017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
medrysone[no description available]medium10corticosteroid hormone
artisone acetate[no description available]medium10corticosteroid hormone
chondocurine (1beta)-(+-)-isomer[no description available]medium10aromatic ether
4-methoxyxanthone[no description available]medium10
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide[no description available]medium10amine
ouabain[no description available]medium3011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
mandelic acid, (s)-isomer[no description available]medium10(2S)-2-hydroxy monocarboxylic acid;
mandelic acid
tosylphenylalanyl chloromethyl ketone[no description available]medium10alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor
cortodoxone[no description available]medium10deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
acebutolol hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
amiodarone hydrochloride[no description available]medium10aromatic ketone
dicyclomine hydrochloride[no description available]medium10hydrochlorideantispasmodic drug;
muscarinic antagonist
difluprednate[no description available]medium10butyrate ester;
corticosteroid hormone
dironyl[no description available]medium10organic molecular entity
vinpocetine[no description available]medium10alkaloidgeroprotector
amcinonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug
flumethasone pivalate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
dihydroergocristine monomesylate[no description available]medium10methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
resveratrol[no description available]medium20resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
adenosine-5'-(n-ethylcarboxamide)[no description available]medium10adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
histidyl-proline diketopiperazine[no description available]medium10dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine		anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite
afimoxifene[no description available]medium10phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
ketoconazole[no description available]medium10cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
aphidicolin[no description available]medium10tetracyclic 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
maltitol[no description available]medium10alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent
chalcone[no description available]medium10chalconeEC 3.2.1.1 (alpha-amylase) inhibitor
thermospine[no description available]medium10
dibenzylidene acetone[no description available]medium10
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone[no description available]medium10cycloheptafuran
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester[no description available]medium102-methoxyethyl ester;
benzofurans
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid[no description available]medium10indolyl carboxylic acid
haplamine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
diethylstilbestrol dipropionate[no description available]medium10
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
glycerylphosphorylcholine[no description available]medium10phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite
n-methylscopolamine nitrate[no description available]medium10
phenytoin sodium[no description available]medium10
nsc 4347[no description available]medium10
ipratropium bromide anhydrous[no description available]medium10
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide[no description available]medium10benzamides
methamilane methiodide[no description available]medium10
physostigmine salicylate[no description available]medium10azaheterocycle salicylate salt;
salicylates
pilocarpine nitrate[no description available]medium10
n(6)-cyclopentyladenosine[no description available]medium10
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid[no description available]medium10coumarins
prothionamide[no description available]medium10pyridines
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one[no description available]medium10benzoxazine
dienestrol[no description available]medium10
methylthiouracil[no description available]medium10pyrimidone
4-methoxy-N-(3-pyridinylmethyl)benzamide[no description available]medium10benzamides
caffeic acid[no description available]medium10caffeic acidgeroprotector;
mouse metabolite
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester[no description available]medium10coumarins
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide[no description available]medium10phthalimides
urocanic acid[no description available]medium10urocanic acidhuman metabolite
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone[no description available]medium10stilbenoid
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole[no description available]medium10oxadiazole;
ring assembly
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid[no description available]medium10psoralens
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione[no description available]medium10pyrimidotriazine
curcumin[no description available]medium10aromatic 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
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one[no description available]medium10pyridochromene
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester[no description available]medium10chromones
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid[no description available]medium10coumarins
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one[no description available]medium10coumarins
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone[no description available]medium10quinolines
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one[no description available]medium10coumarins
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide[no description available]medium10aromatic amide;
furans
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide[no description available]medium10quinolines
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide[no description available]medium10quinolines
cinnarizine[no description available]medium10diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone[no description available]medium10stilbenoid
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea[no description available]medium10benzothiazoles
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine[no description available]medium10dimethoxybenzene
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester[no description available]medium10flavones;
tert-butyl ester
ethylenethiourea[no description available]medium10imidazolidines
tacrine hydrochloride[no description available]medium10
p-aminosalicylic acid monosodium salt[no description available]medium10organic molecular entity
mecysteine hydrochloride[no description available]medium10alpha-amino acid ester
2-(2-furanyl)-4-thiazolidinecarboxylic acid[no description available]medium10organonitrogen compound;
organooxygen compound
dihydrosamidine[no description available]medium10
N-(2-methoxycyclohexyl)-3,4-dimethylaniline[no description available]medium10methylbenzene
eskazine[no description available]medium10
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione[no description available]medium10methylbenzene
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester[no description available]medium10isopropyl ester;
piperazines
zeranol[no description available]medium10macrolide
monooctanoin[no description available]medium101-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol
trimethoprim[no description available]medium10
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid[no description available]medium10peptide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide[no description available]medium10dimethoxybenzene
3-acetyl-6-methyl-1H-quinolin-4-one[no description available]medium10quinolines
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone[no description available]medium10aryl sulfide
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide[no description available]medium10imidazolidines
Anthraniloyllycoctonine[no description available]medium10diterpene alkaloid
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide[no description available]medium10aromatic amide
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid[no description available]medium10harmala alkaloid
diclofenac sodium[no description available]medium10organic sodium salt
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
prostaglandin b1[no description available]medium10prostaglandins Bhuman metabolite
prostaglandin f1[no description available]medium10prostaglandins Falphahuman metabolite
pulmicort[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
zearalenone[no description available]medium10macrolide;
resorcinols		fungal metabolite;
mycoestrogen
estriol 17-glucuronide[no description available]medium10steroid saponin
tranilast[no description available]medium10amidobenzoic 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-hydroxyestradiol[no description available]medium104-hydroxy steroidmetabolite
menatetrenone[no description available]medium10menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent
xylometazoline hydrochloride[no description available]medium10
ketotifen fumarate[no description available]medium10organoammonium saltanti-asthmatic drug;
H1-receptor antagonist
dinoprost tromethamine[no description available]medium10organic molecular entity
hydrocortisone valerate[no description available]medium10cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester
prostaglandin f2 methyl ester[no description available]medium10prostanoid
2-bromoergocryptine mesylate[no description available]medium10
perhexiline maleate[no description available]medium10
phenylephrine hydrochloride[no description available]medium10hydrochloride
mepyramine maleate[no description available]medium10
ethisterone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin
6alpha-hydroxy-17beta-estradiol[no description available]medium106alpha-hydroxy steroid
desoximetasone[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
u-44619[no description available]medium10
tyrphostin ag 555[no description available]medium10
nifuroxazide[no description available]medium10benzoic acids
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
rg 13022[no description available]medium10
styrylquinoline[no description available]medium102-styrylquinoline
kavain[no description available]medium10racemateglycine receptor antagonist
enalapril maleate[no description available]medium10maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
trimebutine maleate salt[no description available]medium10trihydroxybenzoic acid
vincristine sulfate[no description available]medium10
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one[no description available]medium10isoflavones
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid[no description available]medium10peptide
n-methylscopolamine bromide[no description available]medium10
naltrexone hydrochloride[no description available]medium10hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
guanabenz acetate[no description available]medium10dichlorobenzenegeroprotector
nylidrin hydrochloride[no description available]medium10alkylbenzene
triprolidine hydrochloride anhydrous[no description available]medium10hydrochlorideH1-receptor antagonist
phentolamine[no description available]medium10
fendiline hydrochloride[no description available]medium10
tiapridex[no description available]medium10benzamides
nab-365[no description available]medium10hydrochloridebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
dithiazanine iodide[no description available]medium10benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome
sinequan[no description available]medium10dibenzooxazepine
buflomedil hydrochloride[no description available]medium10aromatic ketone
moxisylyte hydrochloride[no description available]medium10monoterpenoid
dirithromycin[no description available]medium10macrolide antibioticprodrug
fluphenazine[no description available]medium10
homochlorocyclizine monohydrochloride[no description available]medium10
butoxamine hydrochloride[no description available]medium10
scopolamine hydrobromide[no description available]medium10
protriptyline hydrochloride[no description available]medium10hydrochlorideantidepressant
emetine hydrochloride[no description available]medium10
epinephrine bitartrate[no description available]medium10
bicuculline methobromide[no description available]medium10
6 beta-hydroxycortisol[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe
androst-16-en-3-one[no description available]medium103-oxo steroid;
androstanoid		mammalian metabolite;
pheromone
butaclamol hydrochloride[no description available]medium10
dihydroouabain[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent
LSM-6455[no description available]medium10peptide ergot alkaloid
estradiol 17-acetate[no description available]medium10steroid ester
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione[no description available]medium10pyrrolidines
3-morpholino-sydnonimine monohydrochloride[no description available]medium10
cefotaxime sodium[no description available]medium10organic sodium salt
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine[no description available]medium10pyrazoles;
ring assembly
bucladesine[no description available]medium303',5'-cyclic purine nucleotide
penicillin g potassium[no description available]medium10organic potassium salt
piperacillin sodium[no description available]medium10organic sodium salt
cefoxitin sodium[no description available]medium10organic molecular entity
sodium diatrizoate[no description available]medium10organic sodium salt;
organoiodine compound		radioopaque medium
estrone sulfate, potassium salt[no description available]medium10
cefazolin sodium[no description available]medium10organic sodium salt
naproxen sodium[no description available]medium10organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
inosine[no description available]medium40inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
kf38789[no description available]medium10
pralidoxime iodide[no description available]medium10organic iodide salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator
pralidoxime chloride[no description available]medium10organic chloride salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator
carbene[no description available]medium20carbene;
methanediyl
styrene[no description available]medium10styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
methane[no description available]medium10alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
serine[no description available]medium530L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
artenimol[no description available]medium10
glutamic acid[no description available]medium80glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
deoxyguanosine[no description available]medium20purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
norleucine[no description available]medium302-aminohexanoic acid;
L-alpha-amino acid zwitterion;
non-proteinogenic L-alpha-amino acid
acetylglucosamine[no description available]medium50N-acetyl-D-glucosamineepitope
thiophenes[no description available]medium10mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
6-diazo-5-oxonorleucine[no description available]medium10
glutamine[no description available]medium690amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
brefeldin a[no description available]medium10macrolide antibioticPenicillium metabolite
rhodamine b[no description available]medium10organic chloride salt;
xanthene dye		fluorescent probe;
fluorochrome;
histological dye
genistein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
glycosides[no description available]medium20
elaiomycin[no description available]medium10
griseoviridin[no description available]medium10
etamycin[no description available]medium10
cysteine[no description available]medium60cysteiniumfundamental metabolite
technetium tc 99m-ethylenedicysteine[no description available]medium10
4-butyrolactone[no description available]medium10butan-4-olidemetabolite;
neurotoxin
methylnitronitrosoguanidine[no description available]medium80nitroso compoundalkylating agent
phenylalanine[no description available]medium130amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
homoserine lactone[no description available]medium10ammonium ion derivative;
organic cation
isoxazoles[no description available]medium80isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
stilbenes[no description available]medium10stilbene
ammonium chloride[no description available]medium30ammonium salt;
inorganic chloride		ferroptosis inhibitor
6-methylthiopurine ribonucleoside-5'-phosphate[no description available]medium10
purine[no description available]medium350purine
alanine[no description available]medium100alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
5-fluorouridine 5'-phosphate[no description available]medium10organofluorine compound;
pyrimidine ribonucleoside 5'-monophosphate		drug metabolite
citric acid, anhydrous[no description available]medium10tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
sulfites[no description available]medium10divalent inorganic anion;
sulfur oxide;
sulfur oxoanion
acrylamide[no description available]medium10acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
benphothiamine[no description available]medium10aminopyrimidine;
formamides;
organic phosphate;
thioester		antioxidant;
immunological adjuvant;
nutraceutical;
protective agent;
provitamin B1
nad[no description available]medium150organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
nadp[no description available]medium100
alloxan[no description available]medium30pyrimidonehyperglycemic agent;
metabolite
2,4-dichlorophenoxyacetic acid[no description available]medium10chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
methionine sulfoximine[no description available]medium100methionine derivative;
non-proteinogenic alpha-amino acid;
sulfoximide
tungstate[no description available]medium10divalent inorganic anion;
tungsten oxoanion
aminooxyacetic acid[no description available]medium20amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
nitrates[no description available]medium20monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
ribose-5-phosphate[no description available]medium10D-ribose 5-phosphate
trypsinogen[no description available]medium10
angiotensinogen[no description available]medium20
uracil[no description available]medium70pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
methylformamide[no description available]medium10formamides
leucine[no description available]medium280amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
inosinic acid[no description available]medium50inosine phosphate;
purine ribonucleoside 5'-monophosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite
deoxyribose[no description available]medium10deoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
uric acid[no description available]medium90uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
tryptophan[no description available]medium50erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
glycine[no description available]medium410alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
pyrimidine[no description available]medium20diazine;
pyrimidines		Daphnia magna metabolite
6-chloropurine[no description available]medium40purines
beta-alanine[no description available]medium10amino acid zwitterion;
beta-amino acid		agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
histidine[no description available]medium40amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
guanine[no description available]medium1802-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
adenosine diphosphate[no description available]medium10adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite
nystatin a1[no description available]medium10nystatins
cyclopentane[no description available]medium20cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
urea[no description available]medium20isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
adenine[no description available]medium3006-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
9-(n-butyl)-6-thioguanine[no description available]medium10
lysine[no description available]medium30aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
glutaminase[no description available]medium50
ammonium hydroxide[no description available]medium170azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant
hydroxylamine[no description available]medium10hydroxylaminesalgal metabolite;
bacterial xenobiotic metabolite;
EC 1.1.3.13 (alcohol oxidase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
nitric oxide donor;
nucleophilic reagent
asparagine[no description available]medium90amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
arsenic[no description available]medium20metalloid atom;
pnictogen		micronutrient
acridines[no description available]medium40acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
agar[no description available]medium20
azides[no description available]medium40pseudohalide anionmitochondrial respiratory-chain inhibitor
pyrroles[no description available]medium30pyrrole;
secondary amine
phenyl acetate[no description available]medium70benzenes;
phenyl acetates
acetaldehyde[no description available]medium10aldehydecarcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent
fumarates[no description available]medium10butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
2,2-bis(bromomethyl)-1,3-propanediol[no description available]medium10primary alcohol
orotic acid[no description available]medium70pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
phosphatidylcholines[no description available]medium101,2-diacyl-sn-glycero-3-phosphocholine
1,3-butadiene[no description available]medium10butadienecarcinogenic agent;
mutagen
chlorophyll a[no description available]medium10chlorophyll;
methyl ester		cofactor
nitrites[no description available]medium30monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
guanidine[no description available]medium10carboxamidine;
guanidines;
one-carbon compound
potassium iodide[no description available]medium10potassium saltexpectorant;
radical scavenger
fluorides[no description available]medium20halide anion;
monoatomic fluorine
citrulline[no description available]medium10amino acid zwitterion;
citrulline		Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
ornithine[no description available]medium20non-proteinogenic L-alpha-amino acid;
ornithine		algal metabolite;
hepatoprotective agent;
mouse metabolite
carbamates[no description available]medium70amino-acid anion
tyrosine[no description available]medium20amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
thymine[no description available]medium20pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite
cytosine[no description available]medium10aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phosphoribosyl-n-formylglycineamide[no description available]medium20
n-formylglycinamide[no description available]medium10
glyceraldehyde[no description available]medium20aldotriosefundamental metabolite
ethidium[no description available]medium20phenanthridinesfluorochrome;
intercalator
eicosapentaenoic acid[no description available]medium20icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
promega[no description available]medium20
pd 123319[no description available]medium10imidazopyridineangiotensin receptor antagonist;
endothelin receptor antagonist;
vasoconstrictor agent
angiotensin ii[no description available]medium10amino acid zwitterion;
angiotensin II		human metabolite
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt[no description available]medium10organic molecular entity
bisindolylmaleimide i[no description available]medium10
diuron[no description available]medium103-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
fluoroacetic acid[no description available]medium10haloacetic acid;
organofluorine compound		EC 4.2.1.3 (aconitate hydratase) inhibitor
diacetyl[no description available]medium10alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite
uridine diphosphate n-acetylglucosamine[no description available]medium10
chondroitin sulfates[no description available]medium10
dermatan sulfate[no description available]medium10amino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
hypoxanthine[no description available]medium120nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite
thymidine[no description available]medium170pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
ammonium acetate[no description available]medium10acetate salt;
ammonium salt		buffer;
food acidity regulator
nitrilotriacetic acid[no description available]medium10NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
ferric nitrilotriacetate[no description available]medium10iron chelatecarcinogenic agent;
mutagen
boric acid[no description available]medium10boric acidsastringent
calcimycin[no description available]medium10benzoxazole
4-nitroaniline[no description available]medium10nitroanilinebacterial xenobiotic metabolite
gamma-glutamine-4-nitroanilide[no description available]medium10
glutathione disulfide[no description available]medium10glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
phosphoribosyl pyrophosphate[no description available]medium805-O-phosphono-D-ribofuranosyl diphosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
aminoimidazole carboxamide[no description available]medium30aminoimidazole;
monocarboxylic acid amide		mouse metabolite
aica ribonucleotide[no description available]medium201-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole		cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
glycogen[no description available]medium10
n(delta)-(n-methyl-n-nitrosocarbamoyl)-l-ornithine[no description available]medium40
nitrosobis(2-oxopropyl)amine[no description available]medium120ketone;
nitrosamine		carcinogenic agent
n-nitroso(di-n-propyl)amine[no description available]medium10nitroso compound
cycloserine[no description available]medium604-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
formic acid[no description available]medium10monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
methionine[no description available]medium60aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
5'-methylthioadenosine[no description available]medium20thioadenosinealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
concanavalin a[no description available]medium20
hydroxylysine[no description available]medium205-hydroxylysine;
hydroxy-L-lysine		human metabolite
l-glutamic acid-gamma-hydrazide[no description available]medium10
4-deoxypyridoxine[no description available]medium10hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine		metabolite
n-(2-hydroxyethyl)retinamide[no description available]medium10
retinylidene dimedone[no description available]medium10
4-hydroxyaminoquinoline-1-oxide[no description available]medium80
4-nitroquinoline-1-oxide[no description available]medium10C-nitro compound;
quinoline N-oxide		carcinogenic agent
retinol acetate[no description available]medium10acetate ester
fibrinogen[no description available]medium10iditolfungal metabolite
galactose[no description available]medium20
kanamycin a[no description available]medium20kanamycinsbacterial metabolite
ethyl methanesulfonate[no description available]medium30methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent
coformycin[no description available]medium10coformycinsEC 3.5.4.4 (adenosine deaminase) inhibitor
proline[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid		algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
methylglucoside[no description available]medium10
methylthioinosine[no description available]medium20purine ribonucleoside;
thiopurine
diazoacetic ester[no description available]medium10
bromochloroacetic acid[no description available]medium202-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
epidermal growth factor[no description available]medium20
ceruletide[no description available]medium20oligopeptidediagnostic agent;
gastrointestinal drug
transforming growth factor alpha[no description available]medium20
deoxyglucose[no description available]medium20
linoleic acid[no description available]medium30octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
sincalide[no description available]medium80oligopeptide
tetragastrin[no description available]medium30peptidyl amide;
tetrapeptide		anxiogenic;
human metabolite
cholecystokinin[no description available]medium130
a 71623[no description available]medium20
adenosine monophosphate[no description available]medium50adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
guanosine monophosphate[no description available]medium20guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite
arachidonic acid[no description available]medium10icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite
gastrins[no description available]medium60
tetramethylrhodamine isothiocyanate[no description available]medium10
proglumide[no description available]medium50benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate		anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite
lorglumide[no description available]medium50benzamides;
dicarboxylic acid monoamide;
dichlorobenzene;
glutamic acid derivative
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
beta carotene[no description available]medium40carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
selenium[no description available]medium60chalcogen;
nonmetal atom		micronutrient
amiloride[no description available]medium10aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
acadesine[no description available]medium101-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
phosphinothricin[no description available]medium20organic anion
spermine[no description available]medium10polyazaalkane;
tetramine		antioxidant;
fundamental metabolite;
immunosuppressive agent
putrescine[no description available]medium10alkane-alpha,omega-diamineantioxidant;
fundamental metabolite
cadaverine[no description available]medium10alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
2-fluoroadenosine[no description available]medium10adenosines;
organofluorine compound
transforming growth factor beta[no description available]medium10
tetradecanoylphorbol acetate[no description available]medium10acetate 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
potassium diazoacetate[no description available]medium10
o-(6)-methylguanine[no description available]medium10methylguaninemutagen
d-alpha tocopherol[no description available]medium20alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
fumonisin b1[no description available]medium10diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite
clofibric acid[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
aspartic acid[no description available]medium60aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one[no description available]medium10chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
fructose-6-phosphate[no description available]medium10D-fructose 6-phosphate
colforsin[no description available]medium10acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
xylose[no description available]medium10D-xylose
galactose[no description available]medium10D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite
D-fructopyranose[no description available]medium30cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
raffinose[no description available]medium10raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
valine[no description available]medium20L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
choline[no description available]medium20cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
dihydrostreptomycin sulfate[no description available]medium20
showdomycin[no description available]medium10
cymarine[no description available]medium10
aminopropionitrile[no description available]medium10aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
thalidomide[no description available]medium10phthalimides;
piperidones
nitrosomethylurethane[no description available]medium10carboxylic ester
p-fluorophenylalanine[no description available]medium10fluoroamino acid;
monofluorobenzenes;
non-proteinogenic alpha-amino acid;
phenylalanine derivative
cycasin[no description available]medium10
pteridines[no description available]medium10azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
pteridines
cyclic gmp[no description available]medium103',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
cobalt[no description available]medium10cobalt group element atom;
metal allergen		micronutrient
4-chloromercuribenzenesulfonate[no description available]medium10arenesulfonic acid;
arylmercury compound
manganese[no description available]medium10elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient
cyanides[no description available]medium10pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor
formaldehyde[no description available]medium10aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
triazoles[no description available]medium301,2,3-triazole
edetic acid[no description available]medium10ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
guanosine triphosphate[no description available]medium30guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
neutral red[no description available]medium10hydrochlorideacid-base indicator;
dye;
two-colour indicator
diminazene[no description available]medium10carboxamidine;
triazene derivative		antiparasitic agent;
trypanocidal drug
oligonucleotides[no description available]medium10
adenosine kinase[no description available]medium10
pyridoxal phosphate[no description available]medium10methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate		coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cephalosporin c[no description available]medium10cephalosporinfungal metabolite
2,6-diaminopurine[no description available]medium202,6-diaminopurines;
primary amino compound		antineoplastic agent
2-aminopurine[no description available]medium202-aminopurines;
nucleobase analogue		antimetabolite
glutaric acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		Daphnia magna metabolite;
human metabolite
chlorine[no description available]medium10halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
n-nitroso(2-hydroxypropyl)(2-oxopropyl)amine[no description available]medium20
cyproterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone		androgen antagonist
xanthine[no description available]medium10xanthineSaccharomyces cerevisiae metabolite
dichlororibofuranosylbenzimidazole[no description available]medium10
glycineamide ribonucleotide[no description available]medium10
1-anilino-8-naphthalenesulfonate[no description available]medium10aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
hematoxylin[no description available]medium10organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol		histological dye;
plant metabolite
eosine yellowish-(ys)[no description available]medium10organic sodium salt;
organobromine compound		fluorochrome;
histological dye
buthionine sulfoximine[no description available]medium10diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
2-naphthylamine[no description available]medium10naphthylaminecarcinogenic agent
goserelin[no description available]medium10organic molecular entity
buserelin[no description available]medium10oligopeptide
lithium[no description available]medium10alkali metal atom
2-(methylamino)isobutyric acid[no description available]medium10alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound		human urinary metabolite
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid[no description available]medium20monoterpenoid
1,2,4-triazole[no description available]medium101,2,4-triazole
propargylglycine[no description available]medium10
neurotensin[no description available]medium10peptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary
benzyl acetate[no description available]medium20acetate ester;
benzyl ester		metabolite
camostat[no description available]high30benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
gabexate[no description available]medium30benzoate ester
oxazoles[no description available]medium201,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
cholestyramine resin[no description available]medium10
dehydroepiandrosterone[no description available]medium1017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
nitrogenase[no description available]medium30
methylphenazonium methosulfate[no description available]medium10azaheterocycle sulfate salt;
phenazines
9,10-dimethyl-1,2-benzanthracene[no description available]medium10ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent
thrazarine[no description available]medium10
n-nitrosobis(2-acetoxypropyl)amine[no description available]medium10
4-nitrobenzylthioinosine[no description available]medium20purine nucleoside
1-monooleoyl-rac-glycerol[no description available]medium101-acylglycerol 18:1;
monooleoylglycerol		plant metabolite
caseins[no description available]medium10
propiolactone[no description available]medium10propan-3-olide
methyl methanesulfonate[no description available]medium10methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
2,7-diacetylaminofluorene[no description available]medium10
creatine[no description available]medium10glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
fibrin[no description available]medium10peptide
camptothecin[no description available]medium20delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
olivomycins[no description available]medium10
nicotinamide mononucleotide[no description available]medium20nicotinamide mononucleotideEscherichia coli metabolite;
mouse metabolite
osmium[no description available]medium10iron group element atom;
platinum group metal atom
prednisolone[no description available]medium4011beta-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
paromomycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
framycetin[no description available]medium10aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
oligomycins[no description available]medium10
fluorine[no description available]medium20diatomic fluorine;
gas molecular entity		NMR chemical shift reference compound
pyrophosphate[no description available]medium20diphosphate ion
ribose[no description available]medium40D-ribose;
ribopyranose
pyrimidinones[no description available]medium10
acetone[no description available]medium10ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
thiourea[no description available]medium10one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
hydrogen carbonate[no description available]medium20carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
fucose[no description available]medium10fucopyranose;
L-fucose		Escherichia coli metabolite;
mouse metabolite
bromine[no description available]medium10diatomic bromine
homocysteine[no description available]medium10amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite
mercury[no description available]medium10elemental mercury;
zinc group element atom		neurotoxin
muramidase[no description available]medium10
shikimic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
diethylstilbestrol[no description available]medium10olefinic 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
propylparaben[no description available]medium10benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
mercaptoethanol[no description available]medium10alkanethiol;
primary alcohol		geroprotector
sulfur[no description available]medium10chalcogen;
nonmetal atom		macronutrient
cesium[no description available]medium10alkali metal atom
isoleucine[no description available]medium10aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
vitamin k semiquinone radical[no description available]medium10
isomethyleugenol[no description available]medium30isomethyleugenol
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
ciprofloxacin[no description available]low00aminoquinoline;
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
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
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
allyl isothiocyanate[no description available]low00alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite
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
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
sulfamoxole[no description available]low00oxazole;
sulfonamide antibiotic;
sulfonamide		antimicrobial agent;
drug allergen
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
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
imidazolidinyl urea[no description available]low00ureasantimicrobial agent
2-methyl-4-isothiazolin-3-one[no description available]low001,2-thiazolesantifouling biocide;
antifungal agent;
antimicrobial agent
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
lupulon[no description available]low00beta-bitter acidangiogenesis inhibitor;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer
arbekacin[no description available]low00aminoglycoside;
kanamycins		antibacterial agent;
antibacterial drug;
antimicrobial agent;
protein synthesis inhibitor
vexibinol[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone		antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite
furanomycin[no description available]medium00dihydrofuran;
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]medium00L-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
silver sulfadiazine[no description available]low00pyrimidines;
silver salt;
sulfonamidate		antibacterial drug;
antimicrobial agent
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
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
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
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
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]medium00alpha-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
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]medium00alicyclic 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
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
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
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
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
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
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
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 251[no description available]low00amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist
am 580[no description available]low00amidobenzoic acid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist
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
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
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
ci 994[no description available]low00acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
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
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
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
miltefosine[no description available]low00phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
beta-thujaplicin[no description available]low00cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
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
letrozole[no description available]low00nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
6-anilino-5,8-quinolinedione[no description available]low00aminoquinoline;
aromatic amine;
p-quinones;
quinolone		antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]low00benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) 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
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
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
oxophenylarsine[no description available]low00arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
phloretin[no description available]low00dihydrochalconesantineoplastic agent;
plant metabolite
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
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
imatinib[no description available]low00aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
SU6656[no description available]low00oxindoles;
sulfonamide		antineoplastic agent;
Aurora kinase inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
vorinostat[no description available]low00dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulforaphane[no description available]low00isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
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
mechlorethamine hydrochloride[no description available]low00hydrochlorideantineoplastic agent
methyltestosterone[no description available]low0017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tributyrin[no description available]low00butyrate ester;
triglyceride		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent
tubercidin[no description available]low00antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
fluoxymesterone[no description available]low0011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent
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
phenformin[no description available]low00biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
dibenzoylmethane[no description available]low00aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
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
pyrazolanthrone[no description available]low00anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
diazomethane[no description available]medium00diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
naphthazarin[no description available]low00hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
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
aloe emodin[no description available]low00aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
thymoquinone[no description available]low001,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
physcione[no description available]low00dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite
dequalinium chloride[no description available]low00organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
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
2-fluoroadenine[no description available]low00organofluorine compound;
purines		antineoplastic agent
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
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
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
tabersonine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite
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
nsc-145,668[no description available]low00hydrochlorideantimetabolite;
antineoplastic agent
clodronic acid[no description available]low001,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation 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
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
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
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
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
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
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
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
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
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
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
toxoflavin[no description available]low00carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
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
alantolactone[no description available]low00naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
kaurenoic acid[no description available]low00ent-kaurane diterpenoidanti-HIV-1 agent;
antineoplastic agent;
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
xanthomicrol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
voacamine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
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
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
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
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
eupatorin[no description available]low00dihydroxyflavone;
polyphenol;
trimethoxyflavone		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent
1-methyltryptophan[no description available]low00non-proteinogenic alpha-amino acid;
tryptophan derivative		antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
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
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
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
hc toxin[no description available]low00homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin
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
fingolimod[no description available]low00aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
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
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
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
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
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
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
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
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
imatinib mesylate[no description available]low00methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
aminolevulinic acid hydrochloride[no description available]low00hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
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
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
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
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
pomalidomide[no description available]low00aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
tempol[no description available]low00aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
selenomethylselenocysteine[no description available]medium00amino 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
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
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[no description available]low00delta-amino acid esterantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
tipifarnib[no description available]low00imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
aklavinone[no description available]low00anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent
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
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
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
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]medium00benzamides;
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
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
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
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
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
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
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
anthricin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes		antineoplastic agent;
apoptosis inducer;
plant 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
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
bortezomib[no description available]low00amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
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
carnosine[no description available]low00amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
canaline[no description available]medium00amino 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
peonidin[no description available]low005-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite
glaucarubinone[no description available]medium00carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol		antimalarial;
antineoplastic agent;
geroprotector;
plant 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 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
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
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
devazepide[no description available]low001,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
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
carubicin[no description available]low00aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones		antineoplastic agent;
apoptosis inducer
docosahexaenoate[no description available]low00docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
neocarzinostatin chromophore[no description available]low00cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester		antineoplastic agent
epothilone b[no description available]low00epothilone;
epoxide		antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent
n(1)-guanyl-1,7-diaminoheptane[no description available]low00guanidines;
primary amino compound		antineoplastic agent;
EC 2.5.1.46 (deoxyhypusine synthase) inhibitor
bms 214662[no description available]low00benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
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
steviol[no description available]low00bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic 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
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
isoliquiritigenin[no description available]low00chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
xanthohumol[no description available]low00aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
vedelianin[no description available]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
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
iFSP1[no description available]low00aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes		antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 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
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
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
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
10058-F4[no description available]low00olefinic compound;
thiazolidinone		antineoplastic agent;
apoptosis inducer
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
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
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
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
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
bigelovin[no description available]low00acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite
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
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
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
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
quercetin[no description available]low007-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
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
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
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
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
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
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
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
agathisflavone[no description available]low00biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite
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
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
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
hinokiflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent
hispidulin[no description available]low00monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
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
wogonin[no description available]low00dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant 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
pterostilbene[no description available]low00diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
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
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
tectochrysin[no description available]low00monohydroxyflavone;
monomethoxyflavone		antidiarrhoeal drug;
antineoplastic agent;
plant 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
4'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent
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
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
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
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
centaureidin[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite
3,3'-di-o-methylquercetin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
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
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
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
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
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
ermanin[no description available]low00dihydroxyflavone;
dimethoxyflavone		anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite
romidepsin[no description available]low00cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulindac sulfide[no description available]low00aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
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
macluraxanthone b[no description available]low00phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite
flavokawain b[no description available]low00chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
tamsulosin hydrochloride[no description available]low00hydrochloridealpha-adrenergic antagonist;
antineoplastic agent
batimastat[no description available]low00hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
glyceryl behenate[no description available]low001-monoglyceride;
fatty acid ester		antineoplastic agent;
plant metabolite
jaceosidin[no description available]low00dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
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
cisplatin[no description available]low00diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
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
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
arglabin[no description available]low00epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
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
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
coronardine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
ascofuranone[no description available]low00dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
columbianadin[no description available]low00alpha,beta-unsaturated carboxylic ester;
furanocoumarin		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
rhizoxin[no description available]low001,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
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
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
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
tanespimycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
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
soblidotin[no description available]low00tetrapeptideantineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
beta-elemene[no description available]low00beta-elemeneantineoplastic agent
laulimalide[no description available]medium00carboxylic 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
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
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
alpha-solanine[no description available]low00glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
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
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
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
jasplakinolide[no description available]low00cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent
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
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
tln 4601[no description available]low00dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol		antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor
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
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
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
hki 272[no description available]low00nitrile;
quinolines		antineoplastic agent;
tyrosine 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
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
jte 607[no description available]low00hydrochlorideanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug
pasireotide[no description available]low00homodetic cyclic peptide;
peptide hormone		antineoplastic agent
npi 2358[no description available]low002,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
rubraxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite
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
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
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
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
avenanthramide b[no description available]low00amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin
ageladine a[no description available]low00alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite
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
bl1521[no description available]low00enamide;
hydroxamic acid;
monocarboxylic acid amide		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) 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
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
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
PB28[no description available]low00aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
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
ym 155[no description available]low00organic bromide saltantineoplastic agent;
apoptosis inducer;
survivin suppressant
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
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
ascochlorin[no description available]low00cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
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
abt 869[no description available]low00aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
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
ki11502[no description available]low00aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
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
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
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
amrubicinol[no description available]low00diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes		antineoplastic agent;
apoptosis inducer;
topoisomerase II 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
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
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
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
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
sm 164[no description available]low00benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent
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
nnc 55-0396[no description available]low00hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
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
olaparib[no description available]low00cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
plx 4720[no description available]low00aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
lcl161[no description available]low001,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine		antineoplastic agent;
apoptosis inducer
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
delanzomib[no description available]low00C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome 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
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
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
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
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
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
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
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
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
TAK-580[no description available]low001,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf 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
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
plx4032[no description available]low00aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf 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
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
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
2,3-dihydro-3beta-O-sulfate withaferin A[no description available]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
EG00229[no description available]low00benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes		angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist
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
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
jq1 compound[no description available]medium00carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
ML-210[no description available]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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
sr9243[no description available]low00bromobenzenes;
sulfonamide;
sulfone		antineoplastic agent;
apoptosis inducer;
liver X receptor inverse agonist
CCT251545[no description available]low00azaspiro compound;
chloropyridine;
pyrazoles		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor
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
hg-9-91-01[no description available]low00aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound		antineoplastic agent;
salt-inducible kinase 2 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
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
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
ebc-46[no description available]low00diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester		antineoplastic agent;
plant metabolite;
protein kinase C agonist
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
levoleucovorin[no description available]low005-formyltetrahydrofolic acidantineoplastic agent;
metabolite
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
tirapazamine[no description available]low00aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
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
undecylprodigiosin[no description available]low00alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent
ver 52296[no description available]low00aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile[no description available]low00hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
XL413[no description available]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
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
dihydroxyacetone[no description available]low00ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1-octanol[no description available]low00octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite
dichlorvos[no description available]low00alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide		anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
2-hexyloxybenzamide[no description available]low00aromatic ether;
benzamides		antifungal agent
gentian violet[no description available]low00iminium ionantibacterial agent;
antifungal agent
heptachlor[no description available]low00cyclodiene organochlorine insecticideagrochemical;
antibacterial agent;
antifungal agent;
GABA-gated chloride channel antagonist;
persistent organic pollutant
methyl parathion[no description available]low00C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
naled[no description available]low00dialkyl phosphate;
organobromine compound;
organochlorine compound;
organophosphate insecticide		acaricide;
agrochemical;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
gliotoxin[no description available]low00dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor
piperonylic acid[no description available]low00aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary
methylparaben[no description available]low00parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
citronellal[no description available]low00aldehyde;
monoterpenoid		antifungal agent;
metabolite
acrylonitrile[no description available]low00aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent
propargyl alcohol[no description available]low00propynol;
terminal acetylenic compound;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite
decanaldehyde[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		antifungal agent;
fragrance;
plant metabolite
undecanoic acid[no description available]low00medium-chain fatty acid;
straight-chain saturated fatty acid		antifungal agent;
human metabolite
veratraldehyde[no description available]low00benzaldehydes;
dimethoxybenzene		antifungal agent
ethyl-p-hydroxybenzoate[no description available]low00ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
benzethonium chloride[no description available]low00aromatic ether;
chloride salt;
quaternary ammonium salt		antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
1-nonanol[no description available]low00nonanol;
primary alcohol		antifungal agent;
flavouring agent;
plant metabolite;
volatile oil component
6-methoxybenzoxazolinone[no description available]low00aromatic ether;
benzoxazole		antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite
gentian violet[no description available]low00organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
isovanillin[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite
2,5-dimethylfuran[no description available]low00furansantifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite
antimycin a[no description available]low00benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
2,4-diacetylphloroglucinol[no description available]low00aromatic ketone;
benzenetriol;
diketone;
methyl ketone		antifungal agent;
bacterial metabolite
usnic acid[no description available]low00dibenzofurans;
methyl ketone;
polyphenol		acaricide;
antifungal agent;
lichen metabolite
tomatine[no description available]low00alkaloid antibiotic;
glycoalkaloid;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
immunological adjuvant;
phytotoxin
isopentyl alcohol[no description available]low00alkyl alcohol;
primary alcohol;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite;
xenobiotic metabolite
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
mevastatin[no description available]medium002-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
isoalantolactone[no description available]low00eudesmane sesquiterpenoid;
sesquiterpene lactone		antifungal agent;
apoptosis inducer;
plant metabolite
arjunolic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite
5-hydroxybenzofuran-2-one[no description available]low001-benzofurans;
aromatic alcohol		antifungal agent;
fungal metabolite
dihydrosanguinarine[no description available]low00benzophenanthridine alkaloidantifungal agent;
metabolite
hypothiocyanite ion[no description available]low00one-carbon compound;
sulfur oxoacid		antibacterial agent;
antifungal agent;
antiviral agent;
human metabolite;
oxidising agent;
rat metabolite
cercosporamide[no description available]low00dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol		antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin
capsidiol[no description available]low00eremophilane sesquiterpenoid;
octahydronaphthalenes;
sesquiterpene phytoalexin		antifungal agent;
plant metabolite
lariciresinol[no description available]low00aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite
sampangine[no description available]low00alkaloid;
organic heterotetracyclic compound		antifungal agent;
plant metabolite
monensin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore
lubimin[no description available]low00vetispirane sesquiterpenoidantifungal agent;
phytoalexin
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
dioncophylline a[no description available]low00biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthalenes		antifungal agent;
antimalarial;
metabolite;
molluscicide
pallidol[no description available]low00carbopolycyclic compound;
polyphenol;
stilbenoid		antifungal agent;
antioxidant;
plant metabolite
sordaricin[no description available]low003-oxo monocarboxylic acid;
aldehyde;
bridged compound;
primary alcohol;
tetracyclic diterpenoid		antifungal agent;
fungal metabolite
pf 1163a[no description available]low00aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite
pf 1163b[no description available]low00aromatic ether;
lactam;
macrolide antibiotic		antifungal agent;
Penicillium metabolite
piperyline[no description available]low00benzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide		antifungal agent;
apoptosis inducer;
plant metabolite
cinnamaldehyde[no description available]low003-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
ferrostatin-1[no description available]low00ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger
decaprenoic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monoterpenoid;
polyunsaturated fatty acid		antifungal agent;
EC 1.14.18.1 (tyrosinase) inhibitor;
melanin synthesis inhibitor;
pheromone;
plant metabolite
australifungin[no description available]low00carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite
coniferaldehyde[no description available]low00cinnamaldehydes;
guaiacols;
phenylpropanoid		antifungal agent;
plant metabolite
sinapaldehyde[no description available]low00cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite
wighteone[no description available]low007-hydroxyisoflavonesantifungal agent;
plant metabolite
l 683590[no description available]low00ether;
lactol;
macrolide;
secondary alcohol		antifungal agent;
bacterial metabolite;
immunosuppressive agent
kaempferol-3-o-galactoside[no description available]low00beta-D-galactoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antifungal agent;
plant metabolite
2-octenal[no description available]low00oct-2-enalantifungal agent;
volatile oil component
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer[no description available]low003beta-sterolanti-HSV-1 agent;
antifungal agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
metabolite
osthenol[no description available]low00hydroxycoumarinantifungal agent;
plant metabolite
alternariol monomethyl ether[no description available]low00aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin
monorden[no description available]low00cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor
mucidin[no description available]low00enoate ester;
enol ether		antifungal agent;
fungal metabolite
concanamycin a[no description available]low00carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite
strobilurin b[no description available]low00enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
monochlorobenzenes;
monomethoxybenzene		antifungal agent;
fungal metabolite;
mitochondrial cytochrome-bc1 complex inhibitor
elaiophylin[no description available]low00lactol;
macrodiolide;
monosaccharide derivative		antifungal agent;
autophagy inhibitor;
bacterial metabolite
chaetoviridin a[no description available]low00azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		antifungal agent;
Chaetomium metabolite
2',4',6'-trihydroxychalcone[no description available]low00chalconesantifungal agent;
plant metabolite
ci 940[no description available]low00hydroxy polyunsaturated fatty acid;
leptomycin		antifungal agent;
bacterial metabolite
altenusin[no description available]low00aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol		antifungal agent;
fungal metabolite
tolfenpyrad[no description available]low00aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide		agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor
fr 900848[no description available]low00cyclopropanes;
nucleoside analogue;
olefinic compound;
polyketide;
secondary carboxamide		antifungal agent;
bacterial metabolite
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside[no description available]low00beta-D-glucoside;
dimethoxybenzene;
lignan;
monosaccharide derivative;
polyphenol;
primary alcohol;
tetralins		antibacterial agent;
antifungal agent;
metabolite
sporothriolide[no description available]low00furofuran;
gamma-lactone		antifungal agent;
fungal metabolite
tavaborole[no description available]low00benzoxaborole;
organofluorine compound		antifungal agent;
EC 6.1.1.4 (leucine--tRNA ligase) inhibitor;
protein synthesis inhibitor
methylamphotericin b[no description available]low00macrolide;
methyl ester;
monosaccharide derivative		antifungal agent;
antiinfective agent;
metabolite
6-tuliposide b[no description available]low006-O-acyl-D-glucose;
enoate ester		antibacterial agent;
antifungal agent;
plant metabolite
enfumafungin[no description available]low00lactol;
monosaccharide derivative;
triterpenoid saponin		antifungal agent
zwittermicin a[no description available]low004,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide;
peptide antibiotic		antifungal agent;
bacterial metabolite
callipeltin a[no description available]low00cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite
dehydrotomatine[no description available]low00alkaloid antibiotic;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
phytotoxin;
plant metabolite
meglutol[no description available]low003-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol		anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite
metyrapone[no description available]low00aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
cordycepin[no description available]low003'-deoxyribonucleoside;
adenosines		antimetabolite;
nucleoside antibiotic
oxythiamine[no description available]low001,3-thiazolium cationantimetabolite;
vitamin B1 antagonist
6-aminonicotinamide[no description available]low00aminopyridine;
monocarboxylic acid amide;
primary amino compound		antimetabolite;
EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor;
teratogenic agent
azauracil[no description available]low001,2,4-triazines;
nucleobase analogue		antimetabolite
5-iodouracil[no description available]low00organoiodine compoundantimetabolite
ezetimibe[no description available]low00azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
thiouridine[no description available]low00nucleoside analogue;
thiouridine		affinity label;
antimetabolite
phenanthridone[no description available]low00lactam;
phenanthridines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen
chetomin[no description available]low00indoles;
organic disulfide;
organic heteropentacyclic compound		Chaetomium metabolite;
immunosuppressive agent
dimethyl sulfate[no description available]low00alkyl sulfatealkylating agent;
immunosuppressive agent
scoparone[no description available]low00aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
triphenyltin chloride[no description available]low00chlorine molecular entity;
organotin compound		antifungal agrochemical;
immunosuppressive agent
flunisolide[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
hydrocortamate[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
glucocorticoid;
glycinyl ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
immunosuppressive agent
fingolimod hydrochloride[no description available]low00hydrochlorideimmunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
tacrolimus[no description available]low00macrolide lactambacterial metabolite;
immunosuppressive agent
mycophenolate mofetil[no description available]medium00carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
5-(4-phenylbutoxy)psoralen[no description available]low00aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker
sotrastaurin[no description available]low00indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines		anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent
demethylzeylasteral[no description available]low00arenecarbaldehyde;
benzenediols;
carbopolycyclic compound;
cyclic ketone;
enone;
oxo monocarboxylic acid		anti-inflammatory agent;
EC 2.4.1.17 (glucuronosyltransferase) inhibitor;
immunosuppressive agent;
nephroprotective agent;
plant metabolite
ginsenoside rd[no description available]low00beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary
baricitinib[no description available]low00azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
euonine[no description available]low00acetate ester;
dihydroagarofuran sesquiterpenoid;
macrolide;
pyridine alkaloid;
sesquiterpene alkaloid		immunosuppressive agent;
insecticide;
plant metabolite
alpha-hydroxyglutarate[no description available]low002-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite
alpha-isopropylmalate[no description available]low002-hydroxy carboxylic acid;
3-hydroxy carboxylic acid;
dicarboxylic acid		metabolite
acetoacetic acid[no description available]low003-oxo fatty acid;
ketone body		metabolite
3-hydroxybenzyl alcohol[no description available]low00hydroxybenzyl alcohol;
phenols		metabolite
n-carbamoyl-beta-alanine[no description available]low00beta-alanine derivativemetabolite;
mouse metabolite
acetoin[no description available]low00methyl ketone;
secondary alpha-hydroxy ketone		metabolite
benzyl alcohol[no description available]low00benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
carbon monoxide[no description available]low00carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent
4-hydroxymandelic acid[no description available]low002-hydroxy carboxylic acid;
phenols		metabolite
aminoethylphosphonic acid[no description available]low00phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite
hydrogen sulfide[no description available]low00gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
n(1)-acetylspermidine[no description available]low00acetylspermidineEscherichia coli metabolite;
metabolite
dihydrouracil[no description available]low00pyrimidoneEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
dimethylamine[no description available]low00methylamines;
secondary aliphatic amine		metabolite
glycolic acid[no description available]low002-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite
hydantoin-5-propionic acid[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite
oxaloacetic acid[no description available]low00C4-dicarboxylic acid;
oxo dicarboxylic acid		geroprotector;
metabolite
porphobilinogen[no description available]low00aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite
1-propanol[no description available]low00propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
trimethyloxamine[no description available]low00tertiary amine oxideEscherichia coli metabolite;
metabolite;
osmolyte
6-hydroxymelatonin[no description available]low00acetamides;
tryptamines		metabolite;
mouse metabolite
n-acetylphenylalanine[no description available]low00N-acetyl-amino acid;
phenylalanine derivative		antidepressant;
metabolite
n-acetyltryptophan[no description available]low00N-acetyl-amino acid;
tryptophan derivative		metabolite
arecoline[no description available]low00enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
aristolochic acid i[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
dibutyl phthalate[no description available]low00diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
hydroxymethyltolbutamide[no description available]low00benzyl alcohols;
sulfonamide;
ureas		metabolite
myristicin[no description available]low00organic molecular entitymetabolite
phenmetrazine[no description available]low00morpholinesmetabolite;
sympathomimetic agent
safrole[no description available]low00benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
n-methyltryptamine[no description available]low00tryptamine alkaloid;
tryptamines		metabolite
phenacyl bromide[no description available]low00acetophenones;
alpha-bromoketone		metabolite
trichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
acrylic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acidmetabolite
n-methylacetamide[no description available]low00acetamides;
monocarboxylic acid amide		metabolite
bis(4-hydroxyphenyl)sulfone[no description available]low00bisphenol;
sulfone		endocrine disruptor;
metabolite
7-amino-4-hydroxy-2-naphthalenesulfonic acid[no description available]low00aminonaphthalenesulfonic acid;
naphthols		metabolite
methyl benzoate[no description available]low00benzoate ester;
methyl ester		insect attractant;
metabolite
2-dichlorobenzene[no description available]low00dichlorobenzenehepatotoxic agent;
metabolite
2,4-diaminotoluene[no description available]low00aminotoluenemetabolite
sulfosalicylic acid[no description available]low00arenesulfonic acid;
benzoic acids;
phenols		metabolite
ethyl lactate[no description available]low00ethyl ester;
lactate ester;
secondary alcohol		metabolite
furaldehyde[no description available]low00aldehyde;
furans		Maillard reaction product;
metabolite
thiophene-2-carboxaldehyde[no description available]low00aldehyde;
thiophenes		metabolite
alpha-resorcylic acid[no description available]low00dihydroxybenzoic acid;
resorcinols		metabolite
methylenebis(chloroaniline)[no description available]low00chloroanilinemetabolite
2-phenylethyl acetate[no description available]low00acetate estermetabolite;
Saccharomyces cerevisiae metabolite
dibenzyl ether[no description available]low00benzyl ethermetabolite
ethyl propionate[no description available]low00propanoate estermetabolite
ethyl oenanthate[no description available]low00fatty acid ethyl estermetabolite
ethyl caprylate[no description available]low00fatty acid ethyl ester;
octanoate ester		metabolite
ethyl laurate[no description available]low00fatty acid ethyl estermetabolite
acetic anhydride[no description available]low00acyclic carboxylic anhydridemetabolite;
reagent
ethyl isovalerate[no description available]low00fatty acid ethyl ester;
olefinic compound		metabolite
n-butyl n-butyrate[no description available]low00butyrate estermetabolite
ethyl decanoate[no description available]low00decanoate ester;
fatty acid ethyl ester		metabolite
methyl octanoate[no description available]low00fatty acid methyl ester;
octanoate ester		metabolite
2-octanone[no description available]low00methyl ketonemetabolite
hexylamine[no description available]low00primary aliphatic aminemetabolite
lauric acid methyl ester[no description available]low00dodecanoate ester;
fatty acid methyl ester		metabolite
octylamine[no description available]low00primary aliphatic aminemetabolite
n-decyl alcohol[no description available]low00decanol;
primary alcohol		metabolite;
pheromone;
protic solvent
methyl palmitate[no description available]low00fatty acid methyl estermetabolite
methyl anthranilate[no description available]low00benzoate esterflavouring agent;
metabolite
ethyl acetate[no description available]low00acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
dibenzyl disulfide[no description available]low00organic aromatic compound;
organic disulfide		metabolite
mequinol[no description available]low00methoxybenzenes;
phenols		metabolite
gamma-resorcylic acid[no description available]low00dihydroxybenzoic acidmetabolite
kynuramine[no description available]low00kynurenamines;
primary amino compound		metabolite
5-methylpyrazole-3-carboxylic acid[no description available]low00monocarboxylic acid;
pyrazoles		metabolite
4-trifluoromethylaniline[no description available]low00(trifluoromethyl)benzenes;
substituted aniline		metabolite
methylguanidine[no description available]low00guanidinesEC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite;
uremic toxin
imperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
osthol[no description available]low00botanical anti-fungal agent;
coumarins		metabolite
Dillapiole[no description available]low00benzodioxolesmetabolite
coumaran[no description available]low001-benzofuransmetabolite
1,3-propanediol[no description available]low00propane-1,3-diolsmetabolite;
protic solvent
tridecanedioic acid[no description available]low00alpha,omega-dicarboxylic acidmetabolite
apiole[no description available]low00benzodioxolesmetabolite
flavone[no description available]low00flavonesmetabolite;
nematicide
cetyl palmitate[no description available]low00hexadecanoate estermetabolite
n-amyl butyrate[no description available]low00butyrate estermetabolite
3-aminobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite
methyl lactate[no description available]low00lactate ester;
methyl ester		metabolite
paeonol[no description available]low00methoxybenzenes;
phenols		metabolite
2,2-dimethylbutyric acid[no description available]low00dimethylbutyric acidmetabolite
2-chloroacrylic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
chlorocarboxylic acid		metabolite
galactitol[no description available]low00hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
1-methyluracil[no description available]low00nucleobase analogue;
pyrimidone		metabolite
2-pyrrolidone[no description available]low00pyrrolidin-2-onesmetabolite;
polar solvent
n-ethylacetamide[no description available]low00acetamidesmetabolite
6-methyluracil[no description available]low00pyrimidonemetabolite
3-methylglutaric acid[no description available]low00alpha,omega-dicarboxylic acidmetabolite
amyl acetate[no description available]low00acetate estermetabolite
dibenzothiophene 5-oxide[no description available]low00dibenzothiophenesmetabolite
2-acetamidoethanethiol[no description available]low00acetamidesmetabolite
2-hydroxyquinoxaline[no description available]low00hydroxyquinoxalinemetabolite
3,4-dihydroxyacetophenone[no description available]low00acetophenones;
catechols;
dihydroxyacetophenone		metabolite
methyl hippurate[no description available]low00glycine derivative;
methyl ester		metabolite
isobarbaloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
vincamine[no description available]low00alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent
methyl tert-butyl ether[no description available]low00etherfuel additive;
metabolite;
non-polar solvent
4-octylphenol[no description available]low00phenolsmetabolite;
surfactant;
xenoestrogen
dronabinol[no description available]low00benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
aviprin[no description available]low00furanocoumarinmetabolite
hydroxyphenytoin[no description available]low00imidazolidine-2,4-dione;
phenols		metabolite
squaric acid[no description available]low00alicyclic ketone;
carbon oxoacid		metabolite
methyl methanethiosulfonate[no description available]low00sulfonic acid derivative;
thiosulfonate ester		metabolite
arabinofuranosyluracil[no description available]low00N-glycosyl compoundmetabolite
6-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite
mannose[no description available]low00D-aldohexose;
D-mannose;
mannopyranose		metabolite
2,3-hexanedione[no description available]low00alpha-diketonemetabolite
3,3-dimethylglutarate[no description available]low00alpha,omega-dicarboxylic acidmetabolite
raspberry ketone[no description available]low00methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite
laurolitsine[no description available]low00aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite
diethyl malate[no description available]low00malate estermetabolite
glucoheptonate[no description available]low00carbohydrate acid;
monocarboxylic acid		metabolite
deslanoside[no description available]low0012beta-hydroxy steroid;
14beta-hydroxy steroid;
cardenolide glycoside;
tetrasaccharide derivative		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
pedalitin[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		EC 1.17.3.2 (xanthine oxidase) inhibitor;
metabolite
ethyl nonanoate[no description available]low00fatty acid ethyl estermetabolite
ethyl hexanoate[no description available]low00fatty acid ethyl ester;
hexanoate ester		metabolite
butyl acetate[no description available]low00acetate estermetabolite
1,4-dioxane[no description available]low00dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
isoamyl acetate[no description available]low00acetate estermetabolite;
Saccharomyces cerevisiae metabolite
tramadol[no description available]low002-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
6-pentylpyrone[no description available]low002-pyranonesmetabolite
4-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
castanospermine[no description available]low00indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
pravastatin[no description available]medium003-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
3-methyl-2-butenal[no description available]low00enalmetabolite
ethyl 3-hydroxybutyrate[no description available]low00fatty acid ethyl estermetabolite
4,5-dimethyl-3-hydroxy-2(5h)-furanone[no description available]low00butenolidemetabolite
n-methylnicotinamide[no description available]low00pyridinecarboxamidemetabolite
3-aminoisobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid		metabolite
platanic acid[no description available]low00hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid		anti-HIV agent;
metabolite
2'-deoxyuridylic acid[no description available]low00deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
gallocatechol[no description available]low00gallocatechinantioxidant;
metabolite;
radical scavenger
1-methylinosine[no description available]low00inosinesmetabolite
dihydrobetulinic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
antileishmanial agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite
bergenin[no description available]low00trihydroxybenzoic acidmetabolite
3'-cmp[no description available]low00cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
xanthoxyletin[no description available]low00coumarinsmetabolite
orsellinic acid[no description available]low00dihydroxybenzoic acid;
resorcinols		fungal metabolite;
marine metabolite;
metabolite
isoimperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
rotenolone[no description available]low00organic molecular entitymetabolite
seselin[no description available]low00coumarinsmetabolite
perillene[no description available]low00furans;
monoterpenoid		fragrance;
metabolite;
semiochemical
glycine methyl ester[no description available]low00glycinyl estermetabolite
hexadecanamide[no description available]low00primary fatty amidemetabolite
benzocyclobutene[no description available]low00carbobicyclic compoundmetabolite
9-methyladenine[no description available]low00methyladeninemetabolite
n'-methyl-2-pyridone-5-carboxamide[no description available]low00methylpyridines;
pyridinecarboxamide;
pyridone		metabolite;
mouse metabolite
1,3-dimethyluracil[no description available]low00pyrimidonemetabolite
3-methoxysalicylic acid[no description available]low00methoxysalicylic acidmetabolite
1,3-dimethyluric acid[no description available]low00oxopurinemetabolite
leucyltyrosine[no description available]low00dipeptidemetabolite
3-methylxanthine[no description available]low003-methylxanthinemetabolite
leucyl-glycyl-glycine[no description available]low00tripeptidemetabolite
acetylleucine[no description available]low00L-leucine derivative;
N-acetyl-L-amino acid		metabolite
n-benzoylalanine, (dl-ala)-isomer[no description available]low00alanine derivative;
N-acyl-amino acid		metabolite
7-methyladenine[no description available]low00methyladeninemetabolite
acetylisoniazid[no description available]low00carbohydrazidemetabolite
illimaquinone[no description available]low00monohydroxy-1,4-benzoquinones;
prenylquinone		metabolite
coptisine[no description available]low00alkaloidmetabolite
narciclasine[no description available]low00phenanthridinesmetabolite
lividomycin[no description available]low00lividomycinsmetabolite
dmp 323[no description available]low00diazepanone;
ureas		anti-HIV agent;
metabolite
eupolauridine[no description available]low00naphthyridine derivativemetabolite
zaluzanin C[no description available]low00gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
2-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine		metabolite
(-)-catechin[no description available]low00catechinmetabolite
Tormentic acid[no description available]low00triterpenoidmetabolite
pinobanksin[no description available]low00secondary alpha-hydroxy ketone;
trihydroxyflavanone		antimutagen;
antioxidant;
metabolite
sigmoidin a[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger
xanthosine 5'-triphosphate[no description available]low00purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
monotropein[no description available]low00beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite
glycyl-histidyl-lysine[no description available]low00tripeptidechelator;
hepatoprotective agent;
metabolite;
vulnerary
homoeriodictyol[no description available]low003'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite
oxazolidin-2-one[no description available]low00carbamate ester;
oxazolidinone		metabolite
monoethyl phthalate[no description available]low00ethyl ester;
phthalic acid monoester		metabolite
methylimidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		GABA agonist;
metabolite
2-(2-aminoethyl)pyridine[no description available]low00aminoalkylpyridine;
primary amine		histamine agonist;
metabolite
xanthurenic acid 8-methyl ether[no description available]low00aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite
methyl orsellinate[no description available]low00hydroxybenzoic acidmetabolite
2,2-di(4-methacryloxyphenyl)propane[no description available]low00bisphenol;
enoate ester		metabolite
sofosbuvir[no description available]low00aminopyrimidine;
aromatic carboxylic acid;
nucleobase analogue;
pyrimidone		metabolite
3-methyluracil[no description available]low00nucleobase analogue;
pyrimidone		metabolite
1-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
leucyl-alanine[no description available]low00dipeptidemetabolite
leucyl-leucyl-leucine[no description available]low00tripeptidemetabolite
3,7-dimethyluric acid[no description available]low00oxopurinemetabolite;
mouse metabolite
alanylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
d-biotin-d-sulfoxide[no description available]low00biotins;
sulfoxide		metabolite
biotin sulfone[no description available]low00biotins;
sulfone		metabolite
asperuloside[no description available]low00acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite
2-(hydroxymethyl)anthraquinone[no description available]low00anthraquinonemetabolite
tyrosylleucine[no description available]low00dipeptidemetabolite
o-methylserine[no description available]medium00L-serine derivative;
non-proteinogenic L-alpha-amino acid		metabolite
cinchonine[no description available]low00(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
aucubin[no description available]low00organic molecular entitymetabolite
catalpol[no description available]low00organic molecular entitymetabolite
3,4-dihydroxyphenylglycol[no description available]low00catechols;
tetrol		metabolite;
mouse metabolite
2-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
taraxerol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		metabolite
3-acetyllupeol[no description available]low00organic molecular entitymetabolite
lupenone[no description available]low00triterpenoidmetabolite
glycyltryptophan[no description available]low00dipeptidemetabolite
monocerin[no description available]low00hydroxybenzoic acidmetabolite
propionyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
alpha-hydroxyisocaproic acid[no description available]low002-hydroxy fatty acid;
branched-chain fatty acid		metabolite
totarol[no description available]low00diterpenoidmetabolite
taraxerone[no description available]low00scalarane sesterterpenoidmetabolite
prunin protein, prunus[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite
uvaol[no description available]low00triterpenoidmetabolite
glycyltyrosine[no description available]low00dipeptidemetabolite
glycylleucine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
alanyltyrosine[no description available]low00dipeptidemetabolite
glycyl-l-phenylalanine[no description available]low00dipeptide zwitterion;
dipeptide		human metabolite;
metabolite
digoxigenin-mono(digitoxoside)[no description available]low00cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid saponin		metabolite
thiazolidine-4-carboxylic acid, (r)-isomer[no description available]low00thiazolidinemonocarboxylic acid;
thioproline		geroprotector;
metabolite
5,6-dihydrothymine[no description available]low00pyrimidonehuman metabolite;
metabolite;
mouse metabolite
dehydroabietic acid[no description available]low00abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
palmitone[no description available]low00dialkyl ketoneanticonvulsant;
metabolite
1-methylthymine[no description available]low00methylthyminemetabolite
imidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite
1-methylguanosine[no description available]low00methylguanosinemetabolite
alanylphenylalanine[no description available]low00dipeptidemetabolite
murrayanine[no description available]low00carbazolesmetabolite
girinimbine[no description available]low00carbazolesmetabolite
tryptophylglycine[no description available]low00dipeptidemetabolite
canthin-6-one[no description available]low00enone;
indole alkaloid;
organic heterotetracyclic compound		antimycobacterial drug;
metabolite
glycylaspartic acid[no description available]low00dipeptidemetabolite
4-methylhippuric acid[no description available]low00N-acylglycinemetabolite
delta(9)-tetrahydrocannabinolic acid[no description available]low00benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent
3-methylhippuric acid[no description available]low00N-acylglycinemetabolite
n-glycylglutamic acid[no description available]low00dipeptidemetabolite
n-caproylglycine[no description available]low00N-acylglycinemetabolite
s-2-aminoethyl cysteine[no description available]medium00L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor;
metabolite;
protein synthesis inhibitor
4-hydroxycyclophosphamide[no description available]low00nitrogen mustard;
organochlorine compound;
phosphorodiamide		alkylating agent;
metabolite
malabaricone c[no description available]low00butanonemetabolite
loliolide[no description available]low00benzofuransmetabolite
tuberostemonine[no description available]low00alkaloidmetabolite
pyrrole-3-carboxylic acid[no description available]low00pyrrolecarboxylic acidmetabolite;
Penicillium metabolite
histidylglycine[no description available]low00dipeptidemetabolite
histidinoalanine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
cinchonidine[no description available]low00(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
quillaic acid[no description available]low00aldehyde;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
p-methoxy-n-methylphenethylamine[no description available]low00aromatic ether;
secondary amino compound		metabolite
ecgonine methyl ester[no description available]low00methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
n-acetylcytidine[no description available]low00acetamides;
cytidines;
secondary carboxamide		metabolite
4-hydroxydebrisoquin[no description available]low00carboxamidine;
isoquinolines;
secondary alcohol		metabolite
hypotaurine[no description available]low00aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite
epicatechin gallate[no description available]low00catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
versiconal hemiacetal acetate[no description available]low00acetate ester;
anthrafuran;
lactol;
palmitoyl amino acid;
polyphenol		metabolite
selenodiglutathione[no description available]low00glutathione derivative;
thioselenide		Escherichia coli metabolite;
metabolite
coprine[no description available]medium00cyclopropanes;
dicarboxylic acid monoamide;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite;
mycotoxin
aristolochic acid ii[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
exp3174[no description available]low00biphenylyltetrazole;
imidazoles;
organochlorine compound		metabolite
ribonolactone[no description available]low00butan-4-olide;
ribonolactone		metabolite
sulfamethoxazole hydroxylamine[no description available]low00isoxazoles;
sulfonamide		allergen;
metabolite
androsterone glucuronide[no description available]low00beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
metabolite;
mouse metabolite
sapintoxin d[no description available]low00phorbol ester;
tertiary alpha-hydroxy ketone		fluorescent probe;
metabolite
amarogentin[no description available]low00monosaccharide derivative;
secoiridoid glycoside		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
metabolite
taraxasterol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite
asiatic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
flavoglaucin[no description available]low00hydroquinonesmetabolite
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone[no description available]low00benzofuransmetabolite
maculosin[no description available]low00dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite
n(4)-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
n-acetylputrescine[no description available]low00N-monoacetylalkane-alpha,omega-diamine;
N-substituted putrescine		metabolite;
mouse metabolite
4'-demethylpodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite
lysicamine[no description available]low00alkaloid antibiotic;
oxoaporphine alkaloid		metabolite
procyanidin b2[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		antioxidant;
metabolite
aromadedrin[no description available]low004'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone		metabolite
3-methylthymine[no description available]low00methylthymine;
pyrimidone		metabolite
tyrosyl-glycyl-glycine[no description available]low00tripeptide zwitterion;
tripeptide		metabolite
cyclic adp-ribose[no description available]low00cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist
glycylglutamine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite;
protective agent
alanylglutamine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
naadp[no description available]low00nicotinic acid dinucleotidecalcium channel agonist;
metabolite;
signalling molecule
procyanidin b5[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		metabolite
proanthocyanidin a2[no description available]low00hydroxyflavan;
proanthocyanidin		angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite
tetrahydrocurcumin[no description available]low00beta-diketone;
diarylheptanoid;
polyphenol		metabolite
eriodictyol 7-glucuronide[no description available]low003'-hydroxyflavonoid;
beta-D-glucosiduronic acid		EC 1.1.1.21 (aldehyde reductase) inhibitor;
metabolite
beta-lipotropin, gln(9)-[no description available]low00catechols;
crown compound;
macrocyclic lactone		bacterial metabolite;
metabolite
4-nitrososulfamethoxazole[no description available]low00isoxazoles;
nitroso compound;
sulfonamide		allergen;
metabolite
protosappanin a[no description available]low00catecholsmetabolite
salvinorin a[no description available]low00organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen
cyanidin[no description available]low005-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
marsupsin[no description available]low001-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite
6,6'-bieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger
3-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
eckol[no description available]low00phlorotanninantioxidant;
metabolite
procyanidin b3[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite
phenylalanylarginine[no description available]low00dipeptidemetabolite
prolylarginine[no description available]low00dipeptidemetabolite
5-methoxytryptophan[no description available]low00L-alpha-amino acid zwitterion;
L-tryptophan derivative		metabolite
phenylalanylglutamate[no description available]low00dipeptidemetabolite
aspartylglycine[no description available]low00dipeptidemetabolite
aspartylglutamate[no description available]low00dipeptidemetabolite
5-hydroxypipecolic acid[no description available]low00piperidinemonocarboxylic acidmetabolite
prolyl-tyrosine[no description available]low00dipeptidemetabolite
histidylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
phenylalanyl-glycyl-glycine[no description available]low00tripeptidemetabolite
leucylarginine[no description available]low00dipeptidemetabolite
pendolmycin[no description available]low00indolesmetabolite
atractylenolide iii[no description available]low00naphthofuranmetabolite
malvidin[no description available]low005-hydroxyanthocyanidinbiological pigment;
metabolite
5-hydroxytryptoline[no description available]low00beta-carbolinesmetabolite
perlolyrine[no description available]low00organic molecular entitymetabolite
endocrocin[no description available]low00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
sulochrin[no description available]medium00benzophenones;
carboxylic ester;
phenols		metabolite
isohomovanillic acid[no description available]low00aromatic ether;
phenols;
phenylacetic acids		metabolite
4-amino-2-methoxypyrimidine[no description available]low00aminopyrimidine;
aromatic ether;
methylcytosine		metabolite
asimilobine[no description available]low00aporphine alkaloidmetabolite
aristolochic acid D[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
leukodopachrome[no description available]low00hydroxy monocarboxylic acid;
indoles		metabolite
pinusolide[no description available]low00diterpene lactonemetabolite
2,4,5-trihydroxypentanoic acid gamma-lactone[no description available]low00ribonolactonemetabolite
hydroxysitosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid		metabolite;
plant metabolite
jolkinolide a[no description available]low00diterpene lactonemetabolite
jolkinolide b[no description available]low00diterpene lactonemetabolite
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine[no description available]low001-alkyl-sn-glycero-3-phosphocholine;
lysophosphatidylcholine O-16:0		metabolite
isovitexin[no description available]low00C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
dopamine quinone[no description available]low001,2-benzoquinones;
primary amino compound		metabolite
platycodin d[no description available]low00triterpenoid saponinmetabolite
frenolicin b[no description available]low00benzoisochromanequinone;
p-quinones		metabolite
4-oxopentanal[no description available]low00ketoaldehydemetabolite
my 12-62c[no description available]low00monohydroxyquinoline;
quinolone		antibacterial agent;
iron chelator;
metabolite;
signalling molecule
3,4-dihydroxyphenylpyruvic acid[no description available]low002-oxo monocarboxylic acidmetabolite
proximadiol[no description available]low00eudesmane sesquiterpenoidmetabolite
aristolochic acid c[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
phenylacetyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
taxusin[no description available]low00acetate ester;
carbotricyclic compound;
taxane diterpenoid		metabolite
confertin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite
beta-methylcrotonylglycine[no description available]low00N-acylglycinemetabolite
tracheloside[no description available]low00glycoside;
lignan		metabolite
maytenonic acid[no description available]low00triterpenoidmetabolite
procyanidin C1[no description available]low00hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
lipoxygenase inhibitor;
metabolite
3-methyleneindolenine[no description available]low00indolesmetabolite
isopulegol[no description available]low00p-menthane monoterpenoidmetabolite
kadsurin[no description available]low00tanninmetabolite
lysylproline[no description available]low00dipeptidemetabolite
dihydrodaidzein[no description available]low00hydroxyisoflavanonemetabolite
4'-o-methylepigallocatechin[no description available]low00catechinmetabolite
limonin[no description available]low00epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
dichamanetin[no description available]low00diarylheptanoidmetabolite
brevianamide f[no description available]low00dipeptide;
indoles;
pyrrolopyrazine		metabolite
4-sulfocatechol[no description available]low00dihydroxybenzenesulfonic acidmetabolite
histidylleucine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
7-methoxyheptaphylline[no description available]low00carbazolesmetabolite
phenylalanylserine[no description available]low00dipeptidemetabolite
phellamurin[no description available]low004'-hydroxyflavanones;
beta-D-glucoside;
dihydroflavonols;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		metabolite
prolylglutamic acid[no description available]low00dipeptidemetabolite
nantenine[no description available]low00oxoaporphine alkaloidmetabolite
hydrastine[no description available]low00isoquinolinesmetabolite
butyrylcarnitine[no description available]low00O-butanoylcarnitine;
saturated fatty acyl-L-carnitine		metabolite
aromaticin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite
n-methylcorydaldine[no description available]low00quinolonemetabolite
2-amino-3,3-dimethylbutanoic acid[no description available]low00non-proteinogenic alpha-amino acidmetabolite
pentabromopseudilin[no description available]low00pyrrolesmetabolite
dentatin[no description available]low00coumarinsmetabolite
enmein[no description available]low00delta-lactonemetabolite
5-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite
pomolic acid[no description available]low00triterpenoidmetabolite
aglafoline[no description available]low00methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor
isomaltose[no description available]low00glycosylglucosehuman metabolite;
metabolite;
mouse metabolite
deoxyglucose[no description available]low002-deoxy-D-glucosemetabolite
vestitone[no description available]low00(3R)-2'-hydroxyisoflavanones;
hydroxyisoflavanone;
methoxyisoflavanone		antibacterial agent;
metabolite
pantetheine[no description available]low00pantetheines;
thiol		human metabolite;
metabolite;
mouse metabolite
salicin[no description available]low00aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
taxifolin[no description available]low00taxifolinmetabolite
n-formylmethionine[no description available]low00L-methionine derivative;
N-formyl amino acid;
proteinogenic amino acid		metabolite
fucose[no description available]low00deoxygalactosemetabolite
saponarin[no description available]low00C-glycosyl compound;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		metabolite
cyanidin 3-o-beta-d-glucopyranoside[no description available]low00anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative		metabolite
silychristin[no description available]low001-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger
convallatoxin[no description available]low0014beta-hydroxy steroid;
19-oxo steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
steroid aldehyde;
steroid lactone		metabolite;
vasodilator agent
furostanol i[no description available]low00beta-D-glucoside;
cyclic hemiketal;
pentacyclic triterpenoid;
steroid saponin;
trisaccharide derivative		metabolite
abyssinone v[no description available]low004'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite
davidigenin[no description available]low00dihydrochalcones;
polyphenol		anti-allergic agent;
anti-asthmatic agent;
antioxidant;
metabolite
farrerol[no description available]low00organic molecular entitymetabolite
isonaringin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite
cleomiscosin a[no description available]low00aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite
vicenin ii[no description available]low00C-glycosyl compound;
trihydroxyflavone		metabolite
alpha bitter acid[no description available]low00aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite
acanthoside b[no description available]low00beta-D-glucosidemetabolite
chlorpromazine n-oxide[no description available]low00organochlorine compound;
phenothiazines;
tertiary amine oxide		metabolite
3-hydroxyaspartic acid, (threo-l)-isomer[no description available]low003-hydroxy-L-aspartic acidmetabolite
cyclo(l-phe-l-pro)[no description available]low00organic molecular entitymetabolite
pyochelin[no description available]low00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
petunidin-3-glucoside[no description available]low00anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite
malvidin-3-glucoside[no description available]low00anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite
dioncophylline c[no description available]low00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite
latrunculin a[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
aglucovancomycin b[no description available]low00cyclic ether;
heterodetic cyclic peptide;
peptide antibiotic;
peptide zwitterion;
polyphenol		metabolite
(S)-ATPA[no description available]medium00isoxazoles;
non-proteinogenic L-alpha-amino acid		metabolite
isoleucylvaline[no description available]low00dipeptidemetabolite
3-hydroxyhippuric acid[no description available]low00N-acylglycine;
phenols		metabolite
12-deoxyphorbol 13-acetate[no description available]low00phorbol estermetabolite
conidendrin[no description available]low00lignanmetabolite
bevirimat[no description available]low00dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
16beta,17-dihydroxy-ent-kaurane-19-oic acid[no description available]low00bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite
glycyrin[no description available]low00aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite
reynosin[no description available]low00organic heterotricyclic compound;
sesquiterpene lactone		metabolite
moronic acid[no description available]low00pentacyclic triterpenoidanti-HIV agent;
anti-HSV-1 agent;
metabolite
Phe-Tyr[no description available]low00dipeptidemetabolite
2-acetyl-1-pyrroline[no description available]low00acylimine;
methyl ketone;
pyrroline		flavouring agent;
Maillard reaction product;
metabolite
methyl indole-3-carboxylate[no description available]low00indoles;
methyl ester		metabolite
camalexin[no description available]low001,3-thiazoles;
indole phytoalexin		metabolite
komaroviquinone[no description available]low00bridged compound;
lactol;
p-quinones;
tetracyclic diterpenoid		metabolite;
trypanocidal drug
2-hydroxycinnamic acid[no description available]low002-coumaric acid;
phenols		antioxidant;
metabolite
16-epivincamine[no description available]low00alkaloidmetabolite
diethyl fumarate[no description available]low00diestermetabolite
1-acetyl-beta-carboline[no description available]low00harmala alkaloidmetabolite
propolin c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
butylidenephthalide[no description available]low002-benzofurans;
gamma-lactone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hypoglycemic agent;
metabolite
malonyl coenzyme a[no description available]low00malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite
imidazol-1-ylacetic acid[no description available]low00imidazolyl carboxylic acidmetabolite
captax[no description available]low00aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
n-acetyltryptophan[no description available]low00L-tryptophan derivative;
N-acetyl-L-amino acid		metabolite
cinnamoylglycine[no description available]low00N-acylglycinemetabolite
n-benzoylalanine[no description available]low00N-acyl-L-alanine;
N-benzoylalanine		metabolite
isoferulic acid[no description available]low00ferulic acidsantioxidant;
biomarker;
metabolite
oxypeucadanin, (r)-(+)-isomer[no description available]low00furanocoumarinmetabolite
allylthiourea[no description available]low00thioureasmetabolite
n-glycylalanine[no description available]low00dipeptidemetabolite
caryophyllene oxide[no description available]low00epoxidemetabolite
olivetolic acid[no description available]low00benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite
hirsutine, (16e,20beta)-isomer[no description available]low00alkaloidmetabolite
Ganodermanontriol[no description available]low00triterpenoidmetabolite
dieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger
glycylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
tamoxifen n-oxide[no description available]low00aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite
7-deacetylgedunin[no description available]low00cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite
galactose-6-phosphate[no description available]low00D-galactose 6-phosphatemetabolite
nicotine n-glucuronide[no description available]low00iminium betaine;
N-glycosylpyridine		metabolite
isorhyncophylline[no description available]low00indolizinesmetabolite
cysteinylproline[no description available]low00dipeptidemetabolite
glycyllysine[no description available]low00dipeptidemetabolite
methionyltryptophan[no description available]low00dipeptidemetabolite
ascorbigen[no description available]low00indolyl carbohydratemetabolite
pimeloyl-coenzyme a[no description available]low00omega-carboxyacyl-CoAmetabolite
1-salicylate glucuronide[no description available]low00benzoic acids;
beta-D-glucosiduronic acid		metabolite
isoschaftoside[no description available]low00C-glycosyl compound;
trihydroxyflavone		metabolite
croomine[no description available]low00alkaloidmetabolite
3-hydroxyflavanone[no description available]low003'-hydroxyflavanones;
monohydroxyflavanone		metabolite
ungeremine[no description available]low00organic molecular entitymetabolite
seryl-proline[no description available]low00dipeptidemetabolite
4-hydroxy-5-methyl-3(2h)-furanone[no description available]low00cyclic ketone;
enol;
furans		metabolite
annomontine[no description available]low00alkaloid;
aminopyrimidine;
beta-carbolines		antiparasitic agent;
metabolite
8-hydroxymanzamine a[no description available]low00alkaloid;
beta-carbolines;
isoquinolines		anti-HSV-2 agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
metabolite
calceolarioside b[no description available]low00hydroxycinnamic acidmetabolite
quercetin 3-o-glucuronide[no description available]low00beta-D-glucosiduronic acid;
quercetin O-glycoside		antidepressant;
antioxidant;
metabolite
catechin gallate[no description available]low00flavans;
gallate ester;
polyphenol		metabolite
sterigmatocystin[no description available]low00sterigmatocystinsmetabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone[no description available]low00dimethoxyflavone;
trihydroxyflavone		EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
7,3'-dihydroxy-4'-methoxyisoflavone[no description available]low004'-methoxyisoflavones;
7-hydroxyisoflavones		antioxidant;
metabolite
vomifoliol[no description available]low00(6S)-vomifoliolmetabolite;
phytotoxin
feruloyltyramine[no description available]low00tyraminesmetabolite
luteolin-7-glucuronide[no description available]low00glycosyloxyflavone;
luteolin O-glucuronoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
apigetrin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
rutin[no description available]low00disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
6-ketoprostaglandin e1[no description available]low00prostaglandins Emetabolite;
platelet aggregation inhibitor
lipoxin a4[no description available]low00hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite
harmine[no description available]low00harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
naringenin chalcone[no description available]low00chalcones;
polyphenol		anti-allergic agent;
anti-inflammatory agent;
metabolite
cornexistin[no description available]low00cyclic dicarboxylic anhydride;
organic heterobicyclic compound;
secondary alpha-hydroxy ketone		herbicide;
metabolite
isobavachalcone[no description available]low00chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor
Rhynchophylline[no description available]low00indolizinesmetabolite
esculin[no description available]low00beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite
mammeisin[no description available]low00neoflavonoidmetabolite
ostruthin[no description available]low00terpene lactonemetabolite
caryophyllene[no description available]low00beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug
phaseic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
apo carotenoid sesquiterpenoid		metabolite
cupressuflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger
fisetin[no description available]low003'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
genkwanin[no description available]low00dihydroxyflavone;
monomethoxyflavone		metabolite
bellidifolin[no description available]low00polyphenol;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
metabolite
demethylbellidifolin[no description available]low00tetrol;
xanthones		antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger
euxanthone[no description available]low00phenols;
xanthones		metabolite;
plant metabolite
3-methylquercetin[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
norswertianolin[no description available]low00beta-D-glucoside;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
swerchirin[no description available]low00aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite
isoscutellarein[no description available]low00tetrahydroxyflavonemetabolite
kaempferide[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite
norwogonin[no description available]low00trihydroxyflavoneantioxidant;
metabolite
orientin[no description available]low003'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite
patuletin[no description available]low00flavonols;
monomethoxyflavone;
pentahydroxyflavone		analgesic;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
metabolite
rhamnetin[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite
scutellarein[no description available]low00tetrahydroxyflavonemetabolite
tamarixetin[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite
tricin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite
polydatin[no description available]low00beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
epsilon-viniferin[no description available]low001-benzofurans;
polyphenol;
stilbenoid		metabolite
licoisoflavone a[no description available]low007-hydroxyisoflavonesmetabolite
prunetin[no description available]low007-methoxyisoflavones;
hydroxyisoflavone		anti-inflammatory agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
syringetin[no description available]low003',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone		metabolite;
platelet aggregation inhibitor
10-deoxymethynolide[no description available]low00macrolidemetabolite
4',7-dihydroxyflavone[no description available]low00dihydroxyflavonemetabolite
rhoifolin[no description available]low00dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite
veronicastroside[no description available]low00disaccharide derivative;
glycosyloxyflavone;
neohesperidoside;
trihydroxyflavone		antibacterial agent;
metabolite
quercimeritrin[no description available]low00beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
metabolite
josamycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite
n,n-dimethylsphingenine[no description available]low00aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite
9-hydroxy-10,12-octadecadienoic acid[no description available]low00HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite
9-oxo-10,12-octadecadienoic acid[no description available]low00enone;
oxooctadecadienoic acid		metabolite
13-oxo-9,11-octadecadienoic acid[no description available]low0013-oxo-9,11-octadecadienoic acid;
oxo fatty acid		metabolite
13,14-dihydro-15-ketoprostaglandin d2[no description available]low00prostaglandins Dmetabolite
15-keto-13,14-dihydroprostaglandin f2alpha[no description available]low00ketone;
prostaglandins Falpha		metabolite
2,3-dinor-6-ketoprostaglandin f1alpha[no description available]low004-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite
calcifediol[no description available]low00D3 vitamins;
diol;
hydroxycalciol		bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical
oleyl alcohol[no description available]low00fatty alcohol 18:1;
long-chain primary fatty alcohol		metabolite;
nonionic surfactant
fortimicin a[no description available]low00amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound		antibacterial agent;
metabolite
6,7,4'-trihydroxyisoflavone[no description available]low007-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist
15-deoxy-delta(12,14)-prostaglandin j2[no description available]low00prostaglandins Jelectrophilic reagent;
insulin-sensitizing drug;
metabolite
ciguatoxins[no description available]low00ciguatoxinmetabolite
12-hydroxy-5,8,10-heptadecatrienoic acid[no description available]low00hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
trienoic fatty acid		metabolite
bisdemethoxycurcumin[no description available]low00beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
clausine e[no description available]low00carbazolesmetabolite
heptaphylline[no description available]low00carbazolesmetabolite
pellitorine[no description available]low00fatty amidemetabolite
isorhamnetin-3-o-galactoside[no description available]low00beta-D-galactoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
isorhamnetin 3-o-glucoside[no description available]low00beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
kaempferol-3-o-rutinoside[no description available]low00disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
ligustilide[no description available]low00butenolidemetabolite
7,4'-dihydroxy-3'-methoxyisoflavone[no description available]low007-hydroxyisoflavones;
methoxyisoflavone		antiplasmodial drug;
metabolite
sappanchalcone[no description available]low00catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite
methyl brevifolincarboxylate[no description available]low00cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent
3-deoxysappanchalcone[no description available]low00chalcones;
monomethoxybenzene;
phenols		metabolite
nostocarboline[no description available]low00alkaloid;
beta-carbolines;
organic cation;
organochlorine compound		antimalarial;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide[no description available]low00hydroxycinnamic acidmetabolite
alternariol[no description available]low00benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin
cis-3-hexenyl acetate[no description available]low00acetate ester;
olefinic compound		metabolite
pipercallosidine[no description available]low00alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide[no description available]low00hydroxycinnamic acidmetabolite
7-hydroxyisoflavone[no description available]low007-hydroxyisoflavonesEC 1.14.14.14 (aromatase) inhibitor;
metabolite
flazin[no description available]low00harmala alkaloidmetabolite
11-hydroxynoracronycine[no description available]low00acridinesmetabolite
salutaridine[no description available]low00morphinane alkaloidanti-HBV agent;
metabolite
cytochalasin e[no description available]low00cytochalasan alkaloidmetabolite
1,7-dihydroxy-4-methoxyxanthone[no description available]low00aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite
bergamottin[no description available]low00furanocoumarinmetabolite
24-ethyl-4-cholesten-3-one[no description available]low00C29-steroid;
steroid		metabolite
myricetin 3-o-glucuronide[no description available]low00monosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone		metabolite
phenylalanylalanine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
alpinumisoflavone[no description available]low00isoflavanonesmetabolite
alpha-aspartylalanine[no description available]low00dipeptidemetabolite
ap 10[no description available]low00diterpene lactonemetabolite
quercetin 7-rhamnoside[no description available]low00alpha-L-rhamnoside;
flavonols;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		metabolite
albonoursin[no description available]low002,5-diketopiperazinesmetabolite
oroidin[no description available]low00pyrroles;
secondary carboxamide		metabolite
(-)-catechin-3-O-gallate[no description available]low00flavans;
gallate ester;
polyphenol		metabolite
aspartyllysine[no description available]low00dipeptidemetabolite
arginyllysine[no description available]low00dipeptidemetabolite
hygromycin a[no description available]low00hydroxycinnamic acidmetabolite
latrunculin b[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
falcarindiol[no description available]low00organic molecular entitymetabolite
dehydroergosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		biomarker;
metabolite
n-oleoylglycine[no description available]low00fatty amide;
N-acylglycine 18:1		metabolite
manoalide[no description available]low00butenolide;
lactol;
sesterterpenoid		EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid[no description available]low00enoate ester;
methyl ester;
monocarboxylic acid amide		metabolite
thunberginol f[no description available]low00catechols;
gamma-lactone;
isobenzofuranone		metabolite;
plant metabolite
pyracrenic acid[no description available]low00triterpenoidmetabolite
eicosa-11,14-dienoic acid, (z,z)-isomer[no description available]low00icosadienoic acidmetabolite
yuanhuadine[no description available]low00diterpenoidmetabolite
tiglylglycine[no description available]low00N-acylglycinemetabolite
rhodiocyanoside a[no description available]low00aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite
(2E,4E)-N-isobutyl-2,4-dodecadienamide[no description available]low00fatty amidemetabolite
mycothiazole[no description available]low00thiazolesmetabolite
13-oxo-9,11-octadecadienoic acid[no description available]low0013-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite
linderalactone[no description available]low00butenolidemetabolite
pros-methylimidazoleacetic acid[no description available]low00imidazolyl carboxylic acidmetabolite
cellobionic acid[no description available]low00carbohydrate acid;
disaccharide		metabolite
pseudopteroxazole[no description available]low00tetralinsmetabolite
panduratin a[no description available]low00diarylheptanoidmetabolite
stigmasterol 3-o-beta-d-glucopyranoside[no description available]low00beta-D-glucoside;
monosaccharide derivative;
phytosterols;
steroid saponin		metabolite
17-hydroxyjolkinolide b[no description available]low00diterpene lactonemetabolite
sq-23377[no description available]low00cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite
corosolic acid[no description available]low00triterpenoidmetabolite
cyclo(prolyl-valyl)[no description available]low00piperazinonemetabolite
phenylalanylglycine[no description available]low00dipeptidemetabolite
leucyl-phenylalanine[no description available]low00dipeptidemetabolite
glutamylalanine[no description available]low00dipeptidemetabolite
glutaminyl-glycine[no description available]low00dipeptidemetabolite
methionylglycine[no description available]low00dipeptidemetabolite
valylleucine[no description available]low00dipeptidemetabolite
phenylalanyl-valine[no description available]low00dipeptidemetabolite
cyclo(glycyltryptophyl)[no description available]low00indolesmetabolite
alanylglycine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
valyltyrosine[no description available]low00dipeptidemetabolite
alpha-glutamyltryptophan[no description available]low00dipeptidemetabolite
lysylglutamic acid[no description available]low00dipeptidemetabolite
methionylglutamic acid[no description available]low00dipeptidemetabolite
seryl-histidine[no description available]low00dipeptidemetabolite
arginyl-glutamine[no description available]low00dipeptidemetabolite
phenylalanylproline[no description available]low00dipeptidemetabolite
lysylglycine[no description available]low00dipeptidemetabolite
glycylhistidine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
kopsinine[no description available]low00indole alkaloidmetabolite
cyclo(leucyl-phenylalanyl)[no description available]low002,5-diketopiperazinesmetabolite
prolylisoleucine[no description available]low00dipeptidemetabolite
isoleucyl-tyrosine[no description available]low00dipeptidemetabolite
prolyl-serine[no description available]low00dipeptidemetabolite
grayanotoxin i[no description available]low00acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid		antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin
19-norandrosterone[no description available]low0017-oxo steroidmetabolite
oleandrigenin[no description available]low0014beta-hydroxy steroid;
3beta-hydroxy steroid;
steroid ester		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
valyl-prolyl-proline[no description available]low00tripeptidemetabolite
prolylvaline[no description available]low00dipeptidemetabolite
palbinone[no description available]low0016-oxo steroidmetabolite
pseurotin[no description available]low00azaspiro compound;
lactam;
oxaspiro compound		metabolite
gambogic acid[no description available]low00pyranoxanthonesmetabolite
xenovulene a[no description available]low00cyclic ether;
enone;
organic heterotetracyclic compound;
sesquiterpenoid		GABA antagonist;
metabolite
LL-Z1640-1[no description available]low00macrolide;
resorcinols		metabolite
n-acetylcarnosine[no description available]low00dipeptidemetabolite
cholest-5-en-3-one[no description available]low003-oxo-Delta(5)-steroid;
cholestanoid		metabolite
kaempferol 3-O-beta-L-glucopyranoside[no description available]low00beta-L-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
ubiquinol[no description available]low00polyprenylhydroquinone;
ubiquinol		biomarker;
metabolite
landomycin a[no description available]low00oligosaccharidemetabolite
ancistroealaine a[no description available]low00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug
actein[no description available]low00triterpenoidmetabolite
araloside a[no description available]low00triterpenoid saponinmetabolite
corynoxine b[no description available]low00indolizinesmetabolite
kaempferol 7-o-glucoside[no description available]low00beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
delphinidin 3-sambubioside[no description available]low00anthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite
nodosin[no description available]low00delta-lactonemetabolite
protylonolide[no description available]low00diol;
enone;
macrolide		metabolite
nymphaeol c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
thonningianin a[no description available]low00tanninmetabolite
cephalostatin i[no description available]low00oxo steroidmetabolite
papyriflavonol a[no description available]low003'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone		EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite
myrsinoic acid b[no description available]low001-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite
betulone[no description available]low00triterpenoidmetabolite
eckstolonol[no description available]low00organic heteropentacyclic compound;
oxacycle;
phlorotannin		metabolite;
radical scavenger
gitaloxin[no description available]low00cardenolide glycosidemetabolite
paeonilide[no description available]low00benzoate estermetabolite
dihydroxanthohumol[no description available]low00aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
corynoxine[no description available]low00indolizinesmetabolite
7-phloroeckol[no description available]low00aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite
Sphaeropsidin C[no description available]low00tricyclic diterpenoidmetabolite
kelampayoside a[no description available]low00glycosidemetabolite
2,3-dihydro-3beta-methoxy withaferin A[no description available]low0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite
aerothionin[no description available]low00isoxazolesmetabolite
artemisic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite
26-deoxyactein[no description available]low00triterpenoidmetabolite
5-formylcytosine[no description available]low00aminopyrimidine;
heteroarenecarbaldehyde;
nucleobase analogue;
pyrimidone		metabolite
Lyngbic acid[no description available]low00long-chain fatty acidmetabolite
procyanidin b1[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite
cyclo(tyrosyl-tyrosyl)[no description available]low00cyclo(tyrosyl-tyrosyl)metabolite
myrocin a[no description available]low00tertiary alcoholmetabolite
3'-o-methylepicatechin[no description available]low00catechinmetabolite
protopanaxatriol[no description available]low0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
sapogenin;
tetracyclic triterpenoid		metabolite
laurinterol[no description available]low00organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
Pseudopterosin G-J aglycone[no description available]low00diterpenoidmetabolite
ceratamine a[no description available]low00alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite
liphagal[no description available]low00aldehyde;
cyclic ether;
meroterpenoid;
organic heterotetracyclic compound;
polyphenol		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
metabolite
pulsatilla saponin d[no description available]low00triterpenoidmetabolite
diversonol[no description available]low00phenols;
tertiary alcohol		antibacterial agent;
metabolite
neotuberostemonine[no description available]low00alkaloidmetabolite
drymaritin[no description available]low00enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound		anti-HIV agent;
metabolite
ginsenoside ro[no description available]low00triterpenoid saponinmetabolite
diosgenin glucoside[no description available]low00hexacyclic triterpenoid;
monosaccharide derivative;
spiroketal;
sterol 3-beta-D-glucoside		metabolite
pyripyropene a[no description available]low00organic heterotetracyclic compound;
sesquiterpenoid		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
metabolite
3-epioleanolic acid[no description available]low00triterpenoidmetabolite
leucylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
R-(-)-actinodaphnine[no description available]low00aporphine alkaloidmetabolite
verproside[no description available]low00glycosidemetabolite
verminoside[no description available]low00hydroxycinnamic acidmetabolite
minecoside[no description available]low00hydroxycinnamic acidmetabolite
(R)-(+)-6',7'-dihydroxybergamottin[no description available]low00furanocoumarinmetabolite
lapidilectine b[no description available]low00indolyl carboxylic acidmetabolite
batzelladine a[no description available]medium00alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite
alloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
longipinene[no description available]low00alpha-longipinenemetabolite
parkeol[no description available]low003beta-hydroxy-4,4-dimethylsteroid;
3beta-sterol;
tetracyclic triterpenoid		metabolite
rutundic acid[no description available]low00triterpenoidmetabolite
a-factor (streptomyces)[no description available]low00butan-4-olide;
primary alcohol		metabolite
taraxasteryl acetate[no description available]low00triterpenoidmetabolite
chikusetsu saponin iva[no description available]low00triterpenoid saponinmetabolite
xestoaminol c[no description available]low00amino alcohol;
sphingoid		metabolite
malyngamide A[no description available]low00dicarboximidemetabolite
friedelane[no description available]low00triterpenemetabolite
shamixanthone[no description available]low00cyclic ketone;
phenols;
pyranoxanthene		metabolite
17,18-epoxy-5,8,11,14-eicosatetraenoic acid[no description available]low00EpETEmetabolite
chaetominine[no description available]low00indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite
salmon calcitonin[no description available]low00heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite
neuroprotectin a[no description available]low00cyclic ether;
heterodetic cyclic peptide;
indoles;
organochlorine compound;
polyphenol		HIV-1 integrase inhibitor;
metabolite
alx-0600[no description available]low00polypeptideantioxidant;
glucagon-like peptide-2 receptor agonist;
metabolite;
protective agent
schweinfurthin f[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		metabolite
antrocamphin a[no description available]low00methoxybenzenesanti-inflammatory agent;
metabolite
streptobiosamine[no description available]low00amino disaccharidemetabolite
interiotherin b[no description available]low00aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite
succinyladenosine[no description available]low00adenosines;
amino dicarboxylic acid;
L-aspartic acid derivative		metabolite
6-tuliposide a[no description available]low006-O-acyl-D-glucose;
homoallylic alcohol		allergen;
metabolite
glycochenodeoxycholate-3-sulfate[no description available]low007alpha-hydroxy steroid;
bile acid glycine conjugate;
steroid sulfate		metabolite
wewakazole[no description available]low00cyclic peptidemetabolite
spongia-13(16),14-dien-19-oic acid[no description available]low00cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite
Icariside E4[no description available]low00benzofuransmetabolite
dihydroagarofuran[no description available]low00bridged compound;
cyclic ether;
eudesmane sesquiterpenoid;
organic heterotricyclic compound		metabolite
23-epi-26-deoxyactein[no description available]low00triterpenoidmetabolite
23-hydroxybetulinic acid[no description available]low00triterpenoidmetabolite
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene[no description available]low00diterpenoidmetabolite
2-acetamidoglucal[no description available]low00acetamides;
glycal derivative		metabolite
diorcinol[no description available]low00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
caribenol a[no description available]low00organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite
halisulfate 1[no description available]low00organic molecular entitymetabolite
6-O-feruloylcatalpol[no description available]low00hydroxycinnamic acidmetabolite
essramycin[no description available]low00triazolopyrimidinesmetabolite
ainsliadimer a[no description available]low00sesquiterpene lactone;
spiro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
ciliatamide a[no description available]low00caprolactams;
lipopeptide		antileishmanial agent;
metabolite
etnangien[no description available]low00hydroxy monocarboxylic acid;
macrolide antibiotic		antibacterial agent;
metabolite
latrunculol a[no description available]low00macrolidemetabolite
N-trans-sinapoyltyramine[no description available]low00hydroxycinnamic acidmetabolite
lycojapodine a[no description available]low00alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
epi-maslinic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
eoxin c4[no description available]low00eoxin;
leukotriene		metabolite
Majusculamide AB[no description available]low00amino acid amidemetabolite
antcin a[no description available]low00ergostanoidmetabolite
integric acid[no description available]medium00carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid		HIV-1 integrase inhibitor;
metabolite
vanilloloside[no description available]low00glycosidemetabolite
dicranin[no description available]low00acetylenic fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
trienoic fatty acid		antibacterial agent;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
metabolite
hordatine a[no description available]low00aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite
monanchocidin[no description available]low00organic molecular entitymetabolite
sphaeropsidin a[no description available]low00gamma-lactonemetabolite
gardenoside[no description available]low00beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite
landomycin d[no description available]low00anthraquinonemetabolite
antcin k[no description available]low00bile acidmetabolite
shizukaol B[no description available]low00triterpenoidmetabolite
shizukaol f[no description available]low00triterpenoidmetabolite
staphyloxanthin[no description available]low00apo carotenoid triterpenoid;
D-aldohexose derivative;
fatty acid ester;
triol;
xanthophyll		antioxidant;
biological pigment;
metabolite;
virulence factor
sm 1 peptide[no description available]low00acetate ester;
ergot alkaloid		metabolite
mycocyclosin[no description available]low002,5-diketopiperazines;
organic heterotetracyclic compound;
polyphenol		metabolite
promegestone[no description available]low00terpene lactonemetabolite
lancifodilactone g[no description available]low00cyclic ether;
diol;
enol;
gamma-lactone;
oxaspiro compound;
triterpenoid		anti-HIV agent;
metabolite
rediocide a[no description available]low00diterpenoid;
epoxide;
ortho ester;
terpene lactone		insecticide;
metabolite
lasiokaurin[no description available]low00kaurane diterpenoidmetabolite
longikaurin a[no description available]low00kaurane diterpenoidmetabolite
ponicidin[no description available]low00dioxanesmetabolite
(Z)-6,6',7,3'a-Diligustilide[no description available]low00butenolidemetabolite
suvanine[no description available]low00organic molecular entitymetabolite
shizukaol d[no description available]low00triterpenoidmetabolite
thailandepsin a[no description available]low00cyclodepsipeptidemetabolite
nordidemnin b[no description available]low00didemninmetabolite
4-formylaminooxyvinylglycine[no description available]low00non-proteinogenic alpha-amino acidmetabolite
platycoside e[no description available]low00triterpenoid saponinmetabolite
leuconoxine[no description available]low00alkaloidmetabolite
epidermin[no description available]low00macrocycle;
type A lantibiotic		antibacterial agent;
metabolite
avenacoside b[no description available]low00beta-D-glucoside;
hexacyclic triterpenoid;
spiroketal;
steroid saponin;
tetrasaccharide derivative		metabolite
3-methylglutarylcarnitine[no description available]low00O-methylglutarylcarnitinemetabolite
pivaloylcarnitine[no description available]low00C5-acylcarnitinemetabolite
7,8-dihydroneopterin[no description available]low00dihydropterin;
neopterins		Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine[no description available]low00methyl ketone;
pyrimidodiazepine		metabolite
dyspropterin[no description available]low00biopterins;
tetrahydropterin		human metabolite;
metabolite;
mouse metabolite
2'-o-methylguanosine[no description available]low00methylguanosinemetabolite
allopurinol riboside[no description available]low00nucleoside analoguemetabolite
norclozapine[no description available]low00dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
7-methylguanosine[no description available]low00methylguanosine;
organic cation		metabolite
3'-o-methylguanosine[no description available]low00methylguanosinemetabolite
primapterin[no description available]low00biopterinsmetabolite
7-methylinosine[no description available]low00inosines;
organic cation		metabolite
benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone[no description available]low00carboxylic ester;
diazo compound;
L-phenylalanine derivative;
secondary carboxamide		cathepsin L (EC 3.4.22.15) inhibitor
acemetacin[no description available]low00carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
cyclandelate[no description available]low00carboxylic ester;
secondary alcohol		vasodilator agent
cyclopentolate[no description available]low00carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic
fenvalerate[no description available]low00aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide
flavoxate[no description available]low00carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
fpl 64176[no description available]low00carboxylic ester;
pyrroles		calcium channel agonist
oxybutynin[no description available]low00acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
proglumetacin[no description available]low00aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
diethylhexyladipate[no description available]low00carboxylic ester;
dicarboxylic acids and O-substituted derivatives;
diester		plasticiser
citronellyl formate[no description available]low00carboxylic ester
lauryl acetate[no description available]low00carboxylic ester
n-butyl lactate[no description available]low00carboxylic ester
triflusal[no description available]low00benzoic acids;
carboxylic ester;
salicylates
tocamphyl[no description available]low00carboxylic ester
dioctyl adipate[no description available]low00carboxylic ester
bitolterol[no description available]low00carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
nitazoxanide[no description available]low00benzamides;
carboxylic ester
fluazifop-butyl[no description available]low00aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines
Phenylmethyl benzeneacetate[no description available]low00carboxylic ester
methylphenylcarbinyl acetate[no description available]low00carboxylic ester
xanthoxyline[no description available]low00carboxylic ester
tosiben[no description available]low00benzoic acids;
carboxylic ester;
salicylates
2,4,6-trihydroxybenzaldehyde[no description available]low00carboxylic ester
aceclofenac[no description available]low00amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
serpentine (alkaloid)[no description available]low00carboxylic ester;
iminium betaine;
indole alkaloid;
quinolizines;
zwitterion
indicine[no description available]low00carboxylic ester;
pyrrolizines
clodinafop-propargyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide
cloquintocet-mexyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines
methyl 5-nitro-2-furoate[no description available]low00carboxylic ester
efonidipine[no description available]low00C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound
nitroflurbiprofen[no description available]low00biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent
cefotiam hexetil[no description available]low00carboxylic esterprodrug
celastrol methyl ester[no description available]low00carboxylic ester
bifenazate[no description available]low00carboxylic esteracaricide
dabigatran etexilate[no description available]low00aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
carboxylic ester;
pyridines		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug
Tautomycin[no description available]low00carboxylic ester
glaucolide b[no description available]low00carboxylic ester;
ketone
agrimophol[no description available]low00carboxylic ester
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
valnemulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
colforsin daropate[no description available]low00acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent
kt 5720[no description available]low00carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester[no description available]low00carboxylic ester
transfluthrin[no description available]low00carboxylic ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester insecticide
tiamulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug
2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester[no description available]low00carboxylic ester
2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester[no description available]low00carboxylic ester
2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester[no description available]low00carboxylic ester
4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester[no description available]low00carboxylic ester
N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester[no description available]low00carboxylic ester
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester[no description available]low00carboxylic ester
N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester[no description available]low00carboxylic ester
3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester[no description available]low00carboxylic ester
5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester[no description available]low00carboxylic ester
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester[no description available]low00carboxylic ester
5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester[no description available]low00carboxylic ester
5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester[no description available]low00carboxylic ester
4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester[no description available]low00carboxylic ester
2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester[no description available]low00carboxylic ester
2-(6-imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester[no description available]low00carboxylic ester
orlistat[no description available]low00beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester[no description available]low00carboxylic ester
2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester[no description available]low00carboxylic ester
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester[no description available]low00carboxylic ester
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester[no description available]low00carboxylic ester
2,5-dimethyl-3-furancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester[no description available]low00carboxylic ester
5-o-caffeoylshikimic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
carboxylic ester;
catechols;
cyclohexenecarboxylic acid		plant metabolite
metofluthrin[no description available]low00carboxylic ester
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester[no description available]low00carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester		EC 3.4.23.46 (memapsin 2) inhibitor
rosmarinic acid[no description available]low00carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
3-hexenylacetate[no description available]low00carboxylic ester
11-tetradecenyl acetate[no description available]low00carboxylic ester
crotoxyphos[no description available]low00carboxylic ester
4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid[no description available]low00carboxylic ester
6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid[no description available]low00carboxylic ester
resiniferatoxin[no description available]low00carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
bifenthrin[no description available]low00carboxylic ester;
cyclopropanecarboxylate ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester acaricide;
pyrethroid ester insecticide
cefpodoxime proxetil[no description available]low00carboxylic acid;
carboxylic ester;
cephalosporin		antibacterial drug;
prodrug
retapamulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
5-Chloro-3-pyridinyl 2-furoate[no description available]low00carboxylic esteranticoronaviral agent
capsiate[no description available]low00carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
naproxen-n-butyl nitrate[no description available]low00carboxylic ester;
methoxynaphthalene;
nitrate ester		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
nitric oxide donor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
tiamulin fumarate (1:1), (3as-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10s*))-isomer[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
vibrioferrin[no description available]low00carboxylic ester;
N-acyl hemiaminal;
pyrrolidin-2-ones;
tertiary alcohol;
tricarboxylic acid		marine metabolite;
siderophore
kalopanax saponin b[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
tosedostat[no description available]low00carboxylic ester;
hydroxamic acid;
secondary carboxamide
5-Bromopyridin-3-yl furan-2-carboxylate[no description available]low00carboxylic esteranticoronaviral agent
5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate[no description available]low00carboxylic esteranticoronaviral agent
cauloside D[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
n(alpha)-acetylfusarinines[no description available]low002,5-diketopiperazines;
acetamides;
carboxylic ester;
homoallylic alcohol;
hydroxamic acid;
primary alcohol		siderophore
madecassoside[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin		anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary
N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester[no description available]low00carboxylic ester
3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]hydrazo]-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester[no description available]low00carboxylic ester
crambescidin 800[no description available]low00alkaloid;
carboxylic ester;
guanidines;
monocarboxylic acid amide;
organic heteropentacyclic compound;
primary amino compound;
secondary alcohol;
spiro compound		anti-HIV-1 agent;
anti-HSV-1 agent;
antimalarial;
marine metabolite
opt 80[no description available]low00carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols		antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor
ap20187[no description available]low00aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand
s 8932[no description available]low00aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug
tak 491[no description available]low001,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug
2,3-dihydroxybenzoylserine[no description available]low00L-serine derivativeEscherichia coli metabolite
serine o-sulfate[no description available]low00L-serine derivative;
non-proteinogenic L-alpha-amino acid;
O-sulfoamino acid
cefoxitin[no description available]low00L-serine derivative;
non-proteinogenic L-alpha-amino acid		tumour antigen
glycerophosphoserine[no description available]low00glycerol 1-phosphodiester;
L-serine derivative;
non-proteinogenic L-alpha-amino acid
thyroxine[no description available]low002-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
pyrrolidonecarboxylic acid[no description available]low005-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
homoarginine[no description available]low00homoarginine;
L-lysine derivative;
non-proteinogenic L-alpha-amino acid		biomarker;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
human metabolite;
rat metabolite;
xenobiotic metabolite
diiodotyrosine[no description available]low00diiodotyrosine;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite
3-methoxytyrosine[no description available]low00aromatic L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monomethoxybenzene;
non-proteinogenic L-alpha-amino acid		human metabolite
kainic acid[no description available]low00dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist
phosphotyrosine[no description available]low00L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine		Escherichia coli metabolite;
immunogen
3-methylhistidine[no description available]low00L-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion		human metabolite;
Saccharomyces cerevisiae metabolite
homocitrulline[no description available]low00amino acid zwitterion;
L-lysine derivative;
non-proteinogenic L-alpha-amino acid;
ureas		human metabolite;
mouse metabolite
cystine[no description available]low00cystine zwitterion;
cystine;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
djenkolic acid[no description available]low00dithioacetal;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid		plant metabolite;
toxin
biocytin[no description available]low00azabicycloalkane;
L-alpha-amino acid zwitterion;
L-lysine derivative;
monocarboxylic acid amide;
non-proteinogenic L-alpha-amino acid;
thiabicycloalkane;
ureas		mouse metabolite
methionine sulfoximine[no description available]low00L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfoximine;
non-proteinogenic L-alpha-amino acid		EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
geroprotector
1-methylhistidine[no description available]low00L-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion		human metabolite
phospho-l-arginine[no description available]low00L-arginine derivative;
non-proteinogenic L-alpha-amino acid;
phosphagen;
phosphoamino acid		animal metabolite
albizziin[no description available]low00non-proteinogenic L-alpha-amino acid
beta-n-methylamino-l-alanine[no description available]low00diamino acid;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		bacterial metabolite;
neurotoxin
4-ketoproline[no description available]low004-oxoproline;
amino acid zwitterion;
L-proline derivative;
non-proteinogenic L-alpha-amino acid
s-methylthiocitrulline[no description available]low00imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent
indospicine[no description available]low00carboxamidine;
non-proteinogenic L-alpha-amino acid		hepatotoxic agent;
plant metabolite
3-chloro-L-tyrosine[no description available]low00chloroamino acid;
L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monochlorobenzenes;
non-proteinogenic L-alpha-amino acid		biomarker;
human metabolite
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
pentosidine[no description available]low00imidazopyridine;
non-proteinogenic L-alpha-amino acid		biomarker;
cross-linking reagent
mannopine[no description available]low00amino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		plant metabolite
dansyllysine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid;
sulfonamide		epitope
deoxyhypusine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid		human metabolite
2-formyl-5-(hydroxymethyl)pyrrole-1-norleucine[no description available]low00L-lysine derivative;
N-substituted pyrraline;
non-proteinogenic L-alpha-amino acid
n(6)-carboxymethyllysine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid		antigen
n,n-dimethylarginine[no description available]low00dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor
5-fluorowillardiine[no description available]low00L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
organofluorine compound		AMPA receptor agonist
4-fluorothreonine[no description available]low00amino acid zwitterion;
fluoroamino acid;
L-threonine derivative;
non-proteinogenic L-alpha-amino acid
ovothiol a[no description available]low00aryl thiol;
L-alpha-amino acid zwitterion;
L-histidine derivative;
non-proteinogenic L-alpha-amino acid		antioxidant;
marine metabolite;
radical scavenger
omega-n-methylarginine[no description available]low00amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
beta-aspartyl phosphate[no description available]low00aminoacyl phosphate;
L-aspartic acid derivative;
non-proteinogenic L-alpha-amino acid		Escherichia coli metabolite
vinylglycine[no description available]low00glycine derivative;
L-alpha-amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor
methyl-3-tyrosine[no description available]low00amino acid zwitterion;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
allysine[no description available]low00allysine;
amino acid zwitterion;
aminoadipate semialdehyde;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
kynurenine[no description available]low00amino acid zwitterion;
kynurenine;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
n(5)-hydroxy-l-arginine[no description available]low00hydroxy-L-arginine;
non-proteinogenic L-alpha-amino acid
felinine[no description available]low00L-cysteine thioether;
non-proteinogenic L-alpha-amino acid;
S-alkyl-L-cysteine zwitterion		mammalian metabolite;
pheromone
epsilon-n-methyllysine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid
trifluoromethionine[no description available]low00L-methionine derivative;
non-proteinogenic L-alpha-amino acid;
organofluorine compound
cysteinesulfenic acid[no description available]low00L-cysteine derivative;
non-proteinogenic L-alpha-amino acid
symmetric dimethylarginine[no description available]low00amino acid zwitterion;
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor
delta-n-methylarginine[no description available]low00guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
2-amino-4-phosphonobutyric acid[no description available]low00non-proteinogenic L-alpha-amino acid;
phosphonic acids		metabotropic glutamate receptor agonist
epsilon n-dimethyllysine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid
hydroxythreonine[no description available]low00amino acid zwitterion;
hydroxy-amino acid;
L-threonine derivative;
non-proteinogenic L-alpha-amino acid		Escherichia coli metabolite;
Saccharomyces cerevisiae metabolite
canavanine[no description available]low00amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		phytogenic insecticide;
plant metabolite
5-hydroxytryptophan[no description available]low005-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite
agaritine[no description available]low00amino acid zwitterion;
benzyl alcohols;
carbohydrazide;
L-glutamic acid derivative;
non-proteinogenic L-alpha-amino acid
monoiodotyrosine[no description available]low00amino acid zwitterion;
L-tyrosine derivative;
monoiodotyrosine;
non-proteinogenic L-alpha-amino acid		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
human metabolite;
mouse metabolite
n'-formylkynurenine[no description available]low00amino acid zwitterion;
N-formylkynurenine;
non-proteinogenic amino acid derivative;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
3,5-dichlorotyrosine[no description available]low00chloroamino acid;
dichlorobenzene;
dihalogenated L-tyrosine;
non-proteinogenic L-alpha-amino acid
nitroarginine[no description available]low00guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid
willardiine[no description available]low00amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid
mimosine[no description available]low004-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
metyrosine[no description available]low00L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
2,5-dihydrophenylalanine[no description available]low00non-proteinogenic L-alpha-amino acid
c(alpha)-formylglycine[no description available]low003-oxoalanine;
amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid		Escherichia coli metabolite
3,5-dihydroxyphenylglycine[no description available]low00amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols
methionine sulfone[no description available]low00L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfone;
non-proteinogenic L-alpha-amino acid		animal metabolite
4-fluorophenyl-L-alanine[no description available]low004-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid
o-methyl threonine[no description available]low00ether;
L-threonine derivative;
non-proteinogenic L-alpha-amino acid		antibacterial agent;
bleaching agent
n(6)-(1-iminoethyl)lysine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid
7-chlorotryptophan[no description available]low007-chlorotryptophan;
amino acid zwitterion;
L-tryptophan derivative;
non-proteinogenic L-alpha-amino acid
phosphothreonine[no description available]low00L-threonine derivative;
non-proteinogenic L-alpha-amino acid;
O-phosphoamino acid		Escherichia coli metabolite
leukotriene e4[no description available]low00amino dicarboxylic acid;
L-cysteine thioether;
leukotriene;
non-proteinogenic L-alpha-amino acid;
secondary alcohol
domoic acid[no description available]low00L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
4-chlorothreonine[no description available]low00chloroamino acid;
L-threonine derivative;
non-proteinogenic L-alpha-amino acid
3-tyrosine[no description available]low00hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols		plant metabolite
(S)-2-amino-6-boronohexanoic acid[no description available]low00non-proteinogenic L-alpha-amino acid;
organoboron compound
6-bromotryptophan[no description available]low00aromatic L-alpha-amino acid zwitterion;
bromoamino acid;
bromoindole;
L-alpha-amino acid zwitterion;
L-tryptophan derivative;
non-proteinogenic L-alpha-amino acid
6-chlorotryptophan[no description available]low00L-alpha-amino acid zwitterion;
L-tryptophan derivative;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
n(6)-(1-carboxyethyl)lysine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid
lysine tyrosylquinone[no description available]low001,2-benzoquinones;
L-lysine derivative;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
ConditionIndicatedRelationship StrengthStudiesTrials
Abnormalities, Autosome0low10
Abnormalities, Chromosomal0low10
Abnormalities, Chromosome0low10
Abnormalities, Congenital0low20
Abnormalities, Drug-Induced0low40
Absence Seizure0low10
Absence Seizures0low10
Acinar Carcinoma0low50
Acinar Cell Adenocarcinoma0low50
Acinic Cell Adenocarcinoma0low50
Acinic Cell Carcinoma0low50
Acinic Cell Tumor0low50
Acute Disease0low20
Acute Edematous Pancreatitis0medium51
Acute Liver Injury, Drug-Induced0medium51
Acute Myelogenous Leukemia0medium21
Acute Myeloid Leukemia0medium21
Acute Myeloid Leukemia with Maturation0medium21
Acute Myeloid Leukemia without Maturation0medium21
Acute Pancreatitis0medium51
Adenocarcinoma0low280
Adenocarcinoma, Basal Cell0low280
Adenocarcinoma, Granular Cell0low280
Adenocarcinoma, Oxyphilic0low280
Adenocarcinoma, Tubular0low280
Adenoma0low200
Adenoma, Basal Cell0low200
Adenoma, Follicular0low200
Adenoma, Malignant0low280
Adenoma, Microcystic0low200
Adenoma, Monomorphic0low200
Adenoma, Papillary0low200
Adenoma, Trabecular0low200
Adrenal Cancer0low10
Adrenal Gland Cancer0low10
Adrenal Gland Neoplasms0low10
Adrenal Neoplasm0low10
African Lymphoma0low20
African Sleeping Sickness0low10
African Trypanosomiasis0low10
Aging0low40
Alcoholic Intoxication0low10
Allergy, Drug0low10
Alloxan Diabetes0low10
Alopecia0low10
Alopecia Cicatrisata0low10
Alopecia, Androgenetic0low10
Alopecia, Male Pattern0low10
American Trypanosomiasis0low10
Androgenetic Alopecia0low10
Androgenic Alopecia0low10
Anemia0medium11
Anemia, Aplastic0low10
Anemia, Hypoplastic0low10
Angiogenesis, Pathologic0low10
Angiogenesis, Pathological0low10
Animal Mammary Carcinoma0low20
ANLL0medium21
Antibody Deficiency Syndrome0low10
Aplastic Anaemia0low10
Aplastic Anemia0low10
Ascites0low130
ATLL0low10
Atonic Absence Seizure0low10
Atonic Absence Seizures0low10
Atonic Seizure0low10
Atonic Seizures0low10
Atrophy0low10
Atypical Ductal Hyperplasia0low10
Autosomal Chromosome Disorders0low10
Autosome Abnormalities0low10
Babesia Infection0low10
Babesia Parasite Infection0low10
Babesiasis0low10
Babesiosis0low10
Baldness0low10
Baldness, Male Pattern0low10
Benign Neoplasms0medium402
Bilateral Wilms Tumor0low10
Birth Defects0low20
Blood Clot0low10
Blood Poisoning0low10
Bloodstream Infection0low10
Body Weight0low320
Breast Cancer0medium51
Breast Carcinoma0medium51
Breast Neoplasms0medium51
Breast Tumors0medium51
Burkitt Cell Leukemia0low20
Burkitt Leukemia0low20
Burkitt Lymphoma0low20
Burkitt Tumor0low20
Burkitt's Leukemia0low20
Burkitt's Lymphoma0low20
Burkitt's Tumor0low20
C gattii Infection0low10
C neoformans Infection0low10
C. gattii Infection0low10
C. neoformans Infection0low10
Cadaver0low20
Cancer0medium402
Cancer of Breast0medium51
Cancer of Colon0medium51
Cancer of Gastrointestinal Tract0low10
Cancer of Kidney0low30
Cancer of Larynx0low10
Cancer of Liver0low100
Cancer of Lung0medium31
Cancer of Mouth0low10
Cancer of Pancreas0low1400
Cancer of Rectum0medium11
Cancer of Stomach0medium21
Cancer of the Adrenal Gland0low10
Cancer of the Breast0medium51
Cancer of the Colon0medium51
Cancer of the Gastrointestinal Tract0low10
Cancer of the Kidney0low30
Cancer of the Larynx0low10
Cancer of the Liver0low100
Cancer of the Lung0medium31
Cancer of the Mouth0low10
Cancer of the Pancreas0low1400
Cancer of the Rectum0medium11
Cancer of the Stomach0medium21
Cancer, Hepatocellular0low100
Canine Diseases0low10
Carbon Tetrachloride Poisoning0low10
Carcinoma0low170
Carcinoma 256, Walker0low20
Carcinoma in Situ0low40
Carcinoma, Acinar Cell0low50
Carcinoma, Anaplastic0low170
Carcinoma, Bronchial0low10
Carcinoma, Bronchogenic0low10
Carcinoma, Cribriform0low280
Carcinoma, Ductal, Breast0low10
Carcinoma, Ehrlich Tumor0low290
Carcinoma, Epidermoid0low40
Carcinoma, Granular Cell0low280
Carcinoma, Hepatocellular0low50
Carcinoma, Infiltrating Duct0low10
Carcinoma, Intraductal0low10
Carcinoma, Intraductal, Noninfiltrating0low10
Carcinoma, Intraepithelial0low40
Carcinoma, Invasive Ductal, Breast0low10
Carcinoma, Mammary Ductal0low10
Carcinoma, Non-Small Cell Lung0low10
Carcinoma, Non-Small-Cell Lung0low10
Carcinoma, Planocellular0low40
Carcinoma, Preinvasive0low40
Carcinoma, Spindle-Cell0low170
Carcinoma, Squamous0low40
Carcinoma, Squamous Cell0low40
Carcinoma, Tubular0low280
Carcinoma, Undifferentiated0low170
Carcinomatosis0low170
Carcinosarcoma 256, Walker0low20
Cardiac Hypertrophy0low10
Cardiomegaly0low10
Cardiovascular Stroke0low10
CCl4 Poisoning0low10
Cell Transformation, Neoplastic0low90
Central Nervous System Disease0low10
Central Nervous System Diseases0low10
Central Nervous System Disorder0low10
Central Nervous System Disorders0low10
Centrala nervsystemets sjukdomar@sv0low10
Centriacinar Emphysema0low10
Centrilobular Emphysema0low10
Chagas Disease0low10
Chagas' Disease0low10
Chemical and Drug Induced Liver Injury0medium51
Chemically-Induced Liver Toxicity0medium51
Choline Deficiency0low20
Choreoathetosis Self-Mutilation Hyperuricemia Syndrome0low80
Choreoathetosis Self-Mutilation Syndrome0low80
Choriocarcinoma0low10
Choroby OUN@pl0low10
Chromosomal Aberrations0low10
Chromosomal Disorders0low10
Chromosome Aberrations0low10
Chromosome Abnormalities0low10
Chromosome Abnormality Disorders0low10
Chromosome Disorders0low10
Chromosome-Defective Micronuclei0low10
Chronic Disease0low20
Chronic Illness0low20
Chronic Kidney Failure0low30
Chronically Ill0low20
Clonic Seizure0low10
Clonic Seizures0low10
CNS Disease0low10
CNS Diseases0low10
Cocarcinogenesis0low110
Colon Cancer0medium51
Colon Neoplasms0medium51
Colonic Cancer0medium51
Colonic Neoplasms0medium51
Colorectal Cancer0low20
Colorectal Carcinoma0low20
Colorectal Neoplasms0low20
Colorectal Tumors0low20
Complete HGPRT Deficiency Disease0low80
Complete HPRT Deficiency0low80
Complete Hypoxanthine-Guanine Phosphoribosyltransferase Deficiency0low80
Complex Partial Seizure0low10
Complex Partial Seizures0low10
Complication, Postoperative0low40
Condition, Preneoplastic0low450
Conditions, Preneoplastic0low450
Congenital Abnormalities0low20
Congenital Defects0low20
Congenital Limb Deformities0low20
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Convulsion0low10
Convulsion, Non-Epileptic0low10
Convulsions0low10
Convulsive Seizure0low10
Convulsive Seizures0low10
Corpse0low20
Cryptococcosis0low10
Cryptococcus gattii Infection0low10
Cryptococcus Infection0low10
Cryptococcus Infections0low10
Cryptococcus neoformans Infection0low10
Cystic Echinococcosis0low10
Cystic Fibrosis0low10
Cystic Fibrosis of Pancreas0low10
Cysts, Hydatid0low10
Cytogenetic Aberrations0low10
Cytogenetic Abnormalities0low10
Cytomegalic Inclusion Disease0low10
Cytomegalovirus Infections0low10
DCIS0low10
Defects, Congenital0low20
Deficiency Disease, Complete HGPRT0low80
Deficiency Disease, Hypoxanthine-Phosphoribosyl-Transferase0low80
Deficiency of Guanine Phosphoribosyltransferase0low80
Deficiency of Hypoxanthine Phosphoribosyltransferase0low80
Deficiency Syndrome, Immunologic0low10
Deficiency Syndromes, Antibody0low10
Deficiency Syndromes, Immunologic0low10
Deficiency, Choline0low20
Deficiency, Folic Acid0low10
Deficiency, Pyridoxine0low20
Deficiency, Vitamin B 120low10
Deficiency, Vitamin B 60low20
Deficiency, Vitamin B120low10
Deficiency, Vitamin B60low20
Deformities0low20
Delayed Hypersensitivity0low10
Dermatitis Medicamentosa0low10
Dermatitis, Adverse Drug Reaction0low10
Di Guglielmo Disease0low10
Di Guglielmo's Disease0low10
Diabetes Mellitus0low10
Diabetes Mellitus, Experimental0low10
Diarrhea0low10
Diffuse Large B-Cell Lymphoma0low10
Diffuse Large-Cell Lymphoma0low10
Diffuse Mixed Small and Large Cell Lymphoma0low70
Diffuse Mixed-Cell Lymphoma0low70
Diffuse Small Cleaved-Cell Lymphoma0low70
Diffuse Undifferentiated Lymphoma0low70
Diffuse, Large B-Cell, Lymphoma0low10
Disease Exacerbation0low20
Disease Models, Animal0medium191
Disease Progression0low20
Diseases, Metabolic0low10
Doenu00E7as do Sistema Nervoso Central@pt0low10
Dog Diseases0low10
Drug Allergy0low10
Drug Eruptions0low10
Drug Hypersensitivity0low10
Drug-Induced Abnormalities0low40
Drug-Induced Acute Liver Injury0medium51
Drug-Induced Liver Disease0medium51
Drug-Induced Liver Injury0medium51
Drunkenness0low10
Ductal Carcinoma In Situ0low10
Dysembryoma0low10
Echinococcosis0low10
Echinococcus Granulosus Infection0low10
Echinococcus Infection0low10
Ehrlich Ascites Tumor0low290
EHS Tumor0low70
Elevated Cholesterol0low10
Emesis0medium11
Emphysema, Pulmonary0low10
Emphysemas, Pulmonary0low10
Encephalomyelitis0low10
Encephalomyelitis, Inflammatory0low10
End-Stage Kidney Disease0low30
End-Stage Renal Disease0low30
Enfermedades del Sistema Nervioso Central@es0low10
Enlarged Heart0low10
Enteric Fever0low10
Epileptic Seizure0low10
Epileptic Seizures0low10
Epithelial Neoplasms, Malignant0low170
Epithelial Tumors, Malignant0low170
Epithelioma0low170
Erythremic Myelosis0low10
Erythroblastic Leukemia, Acute0low10
Erythroleukemia0low10
ESRD0low30
Experimental Diabetes Mellitus0low10
Experimental Hepatoma0low50
Experimental Hepatomas0low50
Experimental Leukemia0medium111
Experimental Leukemias0medium111
Experimental Liver Neoplasms0low50
Experimental Lung Inflammation0low10
Experimental Mammary Neoplasms0low50
Experimental Neoplasms0low540
Experimental Sarcoma0low70
Experimental Sarcomas0low70
Fatty Liver0low40
Female Pattern Baldness0low10
Fetal Anomalies0low20
Fetal Growth Restriction0low10
Fetal Growth Retardation0low10
Fetal Malformations0low20
Fever, Zika0low10
Fibrocystic Disease of Pancreas0low10
Fistula0low10
Focal Emphysema0low10
Folic Acid Deficiency0low10
Gastric Cancer0medium21
Gastric Cancer, Familial Diffuse0medium21
Gastric Neoplasms0medium21
Gastrointestinal Cancer0low10
Gastrointestinal Neoplasms0low10
Generalized Absence Seizure0low10
Generalized Absence Seizures0low10
Generalized Tonic-Clonic Seizures0low10
Genotoxicant-Induced Micronuclei0low10
Germinoblastoma0low50
Glomerular Necrosis0low10
Gout0low30
Graft vs Host Disease0low10
Graft-Versus-Host Disease0low10
Graft-vs-Host Disease0low10
Granulocytic Leukemia0low10
Granuloma, Hodgkin0low10
Granuloma, Hodgkin's0low10
Granuloma, Hodgkins0low10
Granuloma, Malignant0low10
Growth Retardation, Intrauterine0low10
Haemonchiasis0low10
Hair Loss0low10
Heart Attack0low10
Heart Enlargement0low10
Heart Hypertrophy0low10
Hematuria0low10
Hepatic Cancer0low100
Hepatic Neoplasms0low100
Hepatitis0low10
Hepatitis A0low10
Hepatitis, Drug-Induced0medium51
Hepatitis, Infectious0low10
Hepatitis, Toxic0medium51
Hepatocellular Cancer0low100
Hepatocellular Carcinoma0low50
Hepatoma0low50
Hepatoma, Experimental0low50
Hepatoma, Morris0low50
Hepatoma, Novikoff0low50
Hepatomas, Experimental0low50
HGPRT Deficiency0low80
HGPRT Deficiency Disease, Complete0low80
High Cholesterol Levels0low10
Histiocytic Lymphoma0low10
Histiocytic Lymphoma, Diffuse0low10
Hodgkin Disease0low10
Hodgkin Lymphoma0low10
Hodgkin Lymphoma, Adult0low10
Hodgkin's Disease0low10
Hodgkin's Lymphoma0low10
Hodgkins Disease0low10
Homologous Wasting Disease0low10
HTLV I Associated T Cell Leukemia Lymphoma0low10
HTLV-Associated Leukemia-Lymphoma0low10
HTLV-I-Associated T-Cell Leukemia-Lymphoma0low10
Human Babesiosis0low10
Human Mammary Carcinoma0medium51
Human T Lymphotropic Virus Associated Leukemia Lymphoma0low10
Human T Lymphotropic Virus-Associated Leukemia-Lymphoma0low10
Human T-Cell Leukemia-Lymphoma0low10
Hydatid Cyst0low10
Hydatid Disease0low10
Hydatidosis0low10
Hypercholesteremia0low10
Hypercholesterolemia0low10
Hyperglycemia0low30
Hyperglycemia, Postprandial0low30
Hyperparathyroidism0low10
Hyperplasia0low70
Hypersensitivity, Delayed0low10
Hypersensitivity, Drug0low10
Hypersensitivity, Tuberculin-Type0low10
Hypersensitivity, Type IV0low10
Hypertrophy0low10
Hypoproteinemia0medium11
Hypothermia0low10
Hypothermia, Accidental0low10
Hypoxanthine Guanine Phosphoribosyltransferase 1 Deficiency0low80
Hypoxanthine Guanine Phosphoribosyltransferase Deficiency0low80
Hypoxanthine Phosphoribosyltransferase Deficiency0low80
Hypoxanthine-Phosphoribosyl-Transferase Deficiency Disease0low80
Immunologic Deficiency Syndrome0low10
Immunologic Deficiency Syndromes0low10
Immunological Deficiency Syndromes0low10
Inborn Errors of Metabolism0low10
Inclusion Disease0low10
Infection, Toxoplasma gondii0low10
Infections, Cytomegalovirus0low10
Infections, Plasmodium0low40
Infectious Hepatitis0low10
Infertility, Female0low10
Inflammation0low30
Inflammatory Encephalomyelitis0low10
Injury, Myocardial Reperfusion0low20
Innate Inflammatory Response0low30
Insulin Resistance0low30
Insulin Sensitivity0low30
Intoxication, Alcoholic0low10
Intraductal Carcinoma, Noninfiltrating0low10
Intraepithelial Neoplasms0low40
Intrauterine Growth Restriction0low10
Intrauterine Growth Retardation0low10
Invasive Ductal Carcinoma, Breast0low10
Invasiveness, Neoplasm0low10
Jacksonian Seizure0low10
Juvenile Gout, Choreoathetosis, Mental Retardation Syndrome0low80
Juvenile Hyperuricemia Syndrome0low80
Kahler Disease0low20
Kaposi Disease0low10
Kaposi's Disease0low10
Keskushermoston sairaudet@fi0low10
Kidney Cancer0low30
Kidney Cortex Necrosis0low10
Kidney Failure, Chronic0low30
Kidney Neoplasms0low30
Kidney Papillary Necrosis0low10
Large Lymphoid Lymphoma, Diffuse0low10
Large-Cell Lymphoma, Diffuse0low10
Laryngeal Cancer0low10
Laryngeal Neoplasms0low10
Larynx Cancer0low10
Larynx Neoplasms0low10
Lathyrism0low10
Lesch-Nyhan Disease0low80
Lesch-Nyhan Syndrome0low80
Leucocythaemia0low80
Leucocythemia0low80
Leukemia0low80
Leukemia L 12100medium121
Leukemia L12100medium121
Leukemia Lymphoma, Adult T Cell0low10
Leukemia Lymphoma, T Cell, Acute, HTLV I Associated0low10
Leukemia Model, Animal0medium111
Leukemia P3880low10
Leukemia-Lymphoma, Adult T-Cell0low10
Leukemia-Lymphoma, T-Cell, Acute, HTLV-I-Associated0low10
Leukemia, Acute Myelogenous0medium21
Leukemia, Acute Myeloid0medium21
Leukemia, Adult T-Cell0low10
Leukemia, Erythroblastic, Acute0low10
Leukemia, Experimental0medium111
Leukemia, Granulocytic0low10
Leukemia, Lymphoblastic, Burkitt-Type0low20
Leukemia, Lymphocytic0medium72
Leukemia, Lymphocytic, L30low20
Leukemia, Lymphoid0medium72
Leukemia, Monocytic, Chronic0low10
Leukemia, Myeloblastic, Acute0medium21
Leukemia, Myelocytic0low10
Leukemia, Myelocytic, Acute0medium21
Leukemia, Myelogenous0low10
Leukemia, Myelogenous, Acute0medium21
Leukemia, Myeloid0low10
Leukemia, Myeloid, Acute0medium21
Leukemia, Myeloid, Acute, M10medium21
Leukemia, Myeloid, Acute, M20medium21
Leukemia, Myeloid, Acute, M60low10
Leukemia, Nonlymphoblastic, Acute0medium21
Leukemia, Nonlymphocytic, Acute0medium21
Leukemias, Experimental0medium111
Leukocytopenia0medium72
Leukopenia0medium72
Limb Deformities, Congenital0low20
Lipidoses0low10
Lipidosis0low10
Lipoidosis0low10
Liver Cancer0low100
Liver Cancer, Adult0low50
Liver Cell Carcinoma0low50
Liver Cell Carcinoma, Adult0low50
Liver Injury, Drug-Induced0medium51
Liver Injury, Drug-Induced, Acute0medium51
Liver Neoplasms0low100
Liver Neoplasms, Experimental0low50
Liver Steatosis0low40
Lobar Pneumonia0low10
Lung Cancer0medium31
Lung Inflammation0low10
Lung Neoplasms0medium31
Lymphatic Sarcoma0low70
Lymphocyte Depletion Hodgkin's Lymphoma0low10
Lymphocyte-Rich Classical Hodgkin's Lymphoma0low10
Lymphocytic Leukemia0medium72
Lymphocytic Leukemia, L30low20
Lymphocytopenia0low10
Lymphogranuloma, Malignant0low10
Lymphoid Leukemia0medium72
Lymphoma0low50
Lymphoma, Atypical Diffuse Small Lymphoid0low70
Lymphoma, Burkitt0low20
Lymphoma, Diffuse0low70
Lymphoma, Diffuse Large-Cell0low10
Lymphoma, Diffuse, Mixed Lymphocytic-Histiocytic0low70
Lymphoma, High-Grade0low70
Lymphoma, Histiocytic0low10
Lymphoma, Histiocytic, Diffuse0low10
Lymphoma, Intermediate-Grade0low70
Lymphoma, Large B-Cell, Diffuse0low10
Lymphoma, Large Cell, Diffuse0low10
Lymphoma, Large Lymphoid, Diffuse0low10
Lymphoma, Large-Cell, Diffuse0low10
Lymphoma, Low-Grade0low70
Lymphoma, Malignant0low50
Lymphoma, Mixed0low70
Lymphoma, Mixed Cell, Diffuse0low70
Lymphoma, Mixed Lymphocytic-Histiocytic0low70
Lymphoma, Mixed Small and Large Cell, Diffuse0low70
Lymphoma, Mixed-Cell0low70
Lymphoma, Mixed-Cell, Diffuse0low70
Lymphoma, Non-Hodgkin0low70
Lymphoma, Non-Hodgkin, Familial0low70
Lymphoma, Non-Hodgkin's0low70
Lymphoma, Non-Hodgkins0low70
Lymphoma, Nonhodgkin's0low70
Lymphoma, Nonhodgkins0low70
Lymphoma, Pleomorphic0low70
Lymphoma, Small and Large Cleaved-Cell, Diffuse0low70
Lymphoma, Small Cleaved Cell, Diffuse0low70
Lymphoma, Small Cleaved-Cell, Diffuse0low70
Lymphoma, Small Non-Cleaved-Cell0low70
Lymphoma, Small Noncleaved-Cell0low70
Lymphoma, Undifferentiated0low70
Lymphoma, Undifferentiated, Diffuse0low70
Lymphopenia0low10
Lymphosarcoma0low70
Maculopapular Drug Eruption0low10
Maculopapular Exanthem0low10
Maladie du systu00E8me nerveux central@fr0low10
Malaria0low40
Malattie del sistema nervoso centrale@it0low10
Male Pattern Baldness0low10
Malignancy0medium402
Malignant Epithelial Neoplasms0low170
Malignant Melanoma0medium31
Malignant Neoplasm of Breast0medium51
Malignant Neoplasms0medium402
Malignant Tumor of Breast0medium51
Mammary Cancer0medium51
Mammary Carcinoma, Animal0low20
Mammary Carcinoma, Human0medium51
Mammary Ductal Carcinoma0low10
Mammary Neoplasm, Human0medium51
Mammary Neoplasms0low20
Mammary Neoplasms, Animal0low20
Mammary Neoplasms, Experimental0low50
Mammary Neoplasms, Human0medium51
Marsh Fever0low40
Melanoma0medium31
Metabolic Diseases0low10
Metabolism Errors, Inborn0low10
Metabolism, Inborn Errors0low10
Metastase0low20
Metastases, Neoplasm0low20
Metastasis0low20
Metastasis, Neoplasm0low20
Micronuclei, Chromosome-Defective0low10
Micronuclei, Genotoxicant-Induced0low10
Micronucleus, Chromosome-Defective0low10
Mixed Cellularity Hodgkin's Lymphoma0low10
Mixed Small and Large Cell Lymphoma, Diffuse0low70
Mixed-Cell Lymphoma0low70
Mixed-Cell Lymphoma, Diffuse0low70
Monocytic Leukemia, Chronic0low10
Morbilliform Drug Reaction0low10
Morbilliform Exanthem0low10
Mouth Cancer0low10
Mouth Neoplasms0low10
Mucositis, Oral0low10
Mucoviscidosis0low10
Multiple Myeloma0low20
Muscle Spasm0low10
Muscular Spasm0low10
Myeloblastic Leukemia, Acute0medium21
Myelocytic Leukemia0low10
Myelocytic Leukemia, Acute0medium21
Myeloencephalitis0low10
Myelogenous Leukemia0low10
Myelogenous Leukemia, Acute0medium21
Myeloid Leukemia0low10
Myeloid Leukemia, Acute0medium21
Myeloid Leukemia, Acute, M10medium21
Myeloid Leukemia, Acute, M20medium21
Myeloid Leukemia, Acute, M60low10
Myeloma-Multiple0low20
Myeloma, Multiple0low20
Myeloma, Plasma-Cell0low20
Myelomatosis0low20
Myocardial Infarct0low10
Myocardial Infarction0low10
Myocardial Ischemic Reperfusion Injury0low20
Myocardial Reperfusion Injury0low20
Myoclonic Seizure0low10
Myoclonic Seizures0low10
Nagana0low10
Nausea0medium21
nemoci centru00E1lnu00EDho nervovu00E9ho systu00E9mu@cs0low10
Neoplasia0medium402
Neoplasm0medium402
Neoplasm Invasion0low10
Neoplasm Invasiveness0low10
Neoplasm Metastases0low20
Neoplasm Metastasis0low20
Neoplasms0medium402
Neoplasms, Adrenal Gland0low10
Neoplasms, Benign0medium402
Neoplasms, Breast0medium51
Neoplasms, Colonic0medium51
Neoplasms, Colorectal0low20
Neoplasms, Experimental0low540
Neoplasms, Experimental Liver0low50
Neoplasms, Experimental Mammary0low50
Neoplasms, Gastric0medium21
Neoplasms, Gastrointestinal0low10
Neoplasms, Hepatic0low100
Neoplasms, Intraepithelial0low40
Neoplasms, Kidney0low30
Neoplasms, Laryngeal0low10
Neoplasms, Liver0low100
Neoplasms, Lung0medium31
Neoplasms, Malignant Epithelial0low170
Neoplasms, Mammary0low20
Neoplasms, Mouth0low10
Neoplasms, Oral0low10
Neoplasms, Pancreatic0low1400
Neoplasms, Plasma Cell0low20
Neoplasms, Pulmonary0medium31
Neoplasms, Rectal0medium11
Neoplasms, Stomach0medium21
Neoplastic Cell Transformation0low90
Neoplastic Transformation, Cell0low90
Neovascularization, Pathologic0low10
Neovascularization, Pathological0low10
Nephroblastoma0low10
Neurolathyrism0low10
Nodular Lymphocyte-Predominant Hodgkin's Lymphoma0low10
Nodular Sclerosing Hodgkin's Lymphoma0low10
Non-Epileptic Seizure0low10
Non-Epileptic Seizures0low10
Non-Hodgkin Lymphoma0low70
Non-Hodgkin's Lymphoma0low70
Non-Small Cell Lung Cancer0low10
Non-Small Cell Lung Carcinoma0low10
Non-Small-Cell Lung Carcinoma0low10
Nonepileptic Seizure0low10
Nonepileptic Seizures0low10
Nonlymphoblastic Leukemia, Acute0medium21
Nonlymphocytic Leukemia, Acute0medium21
Nonsmall Cell Lung Cancer0low10
Oral Cancer0low10
Oral Mucositis0low10
Oral Neoplasms0low10
Oromucositis0low10
Osteogenic Sarcoma0low10
Osteosarcoma0low10
Osteosarcoma Tumor0low10
Ovine Diseases0low10
P388D(1) Leukemia0low10
Paludism0low40
Panacinar Emphysema0low10
Pancreas Cancer0low1400
Pancreas Neoplasms0low1400
Pancreatic Cancer0low1400
Pancreatic Cystic Fibrosis0low10
Pancreatic Diseases0low10
Pancreatic Neoplasms0low1400
Pancreatic Parenchyma with Edema0medium51
Pancreatic Parenchymal Edema0medium51
Pancreatitis0medium51
Pancreatitis, Acute0medium51
Pancreatitis, Acute Edematous0medium51
Panlobular Emphysema0low10
Paralysis, Legs0low10
Paralysis, Lower Extremities0low10
Paralysis, Lower Limbs0low10
Paraplegia0low10
Paraplegia, Ataxic0low10
Paraplegia, Cerebral0low10
Paraplegia, Flaccid0low10
Paraplegia, Spastic0low10
Paraplegia, Spinal0low10
Partial Seizure0low10
Partial Seizures0low10
Pathologic Angiogenesis0low10
Pathologic Neovascularization0low10
Pattern Baldness0low10
Peripancreatic Fat Necrosis0medium51
Petit Mal Convulsion0low10
Piroplasmosis0low10
Plasma Cell Myeloma0low20
Plasma Cell Neoplasms0low20
Plasma Cell Tumor0low10
Plasmacytoma0low10
Plasmocytoma0low10
Plasmodium Infections0low40
Pneumonia0low10
Pneumonia, Lobar0low10
Pneumonitis0low10
Poisoning, Blood0low10
Poisoning, Carbon Tetrachloride0low10
Poisoning, CCl40low10
Porphyria0low10
Porphyrias0low10
Porphyrin Disorder0low10
Postoperative Complications0low40
Postprandial Hyperglycemia0low30
Potassium Deficiency0low10
Precancerous Conditions0low450
Pregnancy0low90
Preneoplastic Condition0low450
Preneoplastic Conditions0low450
Primary Hyperuricemia Syndrome0low80
Proteinuria0low10
Pseudopelade0low10
Pulmonary Cancer0medium31
Pulmonary Cystic Fibrosis0low10
Pulmonary Emphysema0low10
Pulmonary Emphysemas0low10
Pulmonary Inflammation0low10
Pulmonary Neoplasms0medium31
Purine Pyrimidine Metabolism, Inborn Errors0low10
Purine-Pyrimidine Metabolism, Inborn Errors0low10
Pyaemia0low10
Pyemia0low10
Pyohemia0low10
Pyridoxine Deficiency0low20
Rectal Cancer0medium11
Rectal Neoplasms0medium11
Rectal Tumors0medium11
Rectum Cancer0medium11
Rectum Neoplasms0medium11
Remission, Spontaneous0medium53
Remittent Fever0low40
Renal Cancer0low30
Renal Cortical Necrosis0low10
Renal Disease, End-Stage0low30
Renal Failure, Chronic0low30
Renal Failure, End-Stage0low30
Renal Medullary Necrosis0low10
Renal Neoplasms0low30
Renal Papillitis, Necrotizing0low10
Renal Tubule Necrosis0low10
Reperfusion Injury, Myocardial0low20
Reticulolymphosarcoma0low50
Reticulosarcoma0low70
Reticulum Cell Sarcoma0low70
Reticulum Cell-Like Sarcoma, Yoshida0low10
Reticulum-Cell Sarcoma0low70
Runt Disease0low10
Salivary Gland Virus Disease0low10
Salmonella typhi Infection0low10
Sarcoma0low40
Sarcoma 1800low190
Sarcoma 180, Crocker0low190
Sarcoma, Engelbreth-Holm-Swarm0low70
Sarcoma, Epithelioid0low40
Sarcoma, Experimental0low70
Sarcoma, Germinoblastic0low50
Sarcoma, Jensen0low70
Sarcoma, Lymphatic0low70
Sarcoma, Osteogenic0low10
Sarcoma, Reticulum-Cell0low70
Sarcoma, Soft Tissue0low40
Sarcoma, Spindle Cell0low40
Sarcoma, Yoshida0low10
Sarcomas, Experimental0low70
Seizure0low10
Seizures0low10
Seizures, Auditory0low10
Seizures, Clonic0low10
Seizures, Convulsive0low10
Seizures, Epileptic0low10
Seizures, Focal0low10
Seizures, Generalized0low10
Seizures, Gustatory0low10
Seizures, Motor0low10
Seizures, Olfactory0low10
Seizures, Sensory0low10
Seizures, Somatosensory0low10
Seizures, Tonic0low10
Seizures, Tonic-Clonic0low10
Seizures, Vertiginous0low10
Seizures, Vestibular0low10
Seizures, Visual0low10
Sensitivity and Specificity0low10
Sepsis0low10
Septicemia0low10
Serous Acinar Adenoma0low50
Severe Sepsis0low10
Sheep Diseases0low10
Single Seizure0low10
Small Cleaved-Cell Lymphoma, Diffuse0low70
Small Non-Cleaved-Cell Lymphoma0low70
Small Noncleaved-Cell Lymphoma0low70
Spasm0low10
Spasm, Ciliary Body0low10
Spasm, Generalized0low10
Spastic Paraplegia0low10
Squamous Cell Carcinoma0low40
SREDIu0160NJI u017DIVu010CANI SUSTAV, BOLESTI@hr0low10
Steatohepatitis0low40
Steatosis of Liver0low40
Sterility, Female0low10
Sterility, Postpartum0low10
Stomach Cancer0medium21
Stomach Neoplasms0medium21
Stomatitis0low10
Streptozocin Diabetes0low10
Streptozotocin Diabetes0low10
Sub-Fertility, Female0low10
Subfertility, Female0low10
Sykdommer i sentralnervesystemet@no0low10
T Cell Leukemia Lymphoma, HTLV I Associated0low10
T Cell Leukemia, Adult0low10
T-Cell Leukemia-Lymphoma, Adult0low10
T-Cell Leukemia-Lymphoma, HTLV-I-Associated0low10
T-Cell Leukemia, Adult0low10
Teratogenesis0low10
Teratoid Tumor0low10
Teratoma0low10
Teratoma, Benign0low10
Teratoma, Cystic0low10
Teratoma, Immature0low10
Teratoma, Malignant0low10
Teratoma, Mature0low10
Thesaurismosis0low10
Thrombocytopenia0medium52
Thrombopenia0medium52
Thrombosis0low10
Thrombus0low10
Tonic Clonic Seizure0low10
Tonic Seizure0low10
Tonic Seizures0low10
Tonic-Clonic Seizure0low10
Tonic-Clonic Seizures0low10
Torulosis0low10
Total HPRT Deficiency0low80
Total Hypoxanthine-Guanine Phosphoribosyl Transferase Deficiency0low80
Toxic Hepatitis0medium51
Toxoplasma gondii Infection0low10
Toxoplasmosis0low10
Transformation, Neoplastic Cell0low90
Trichostrongyloidiasis0low10
Trypanosoma cruzi Infection0low10
Trypanosomiasis0low20
Trypanosomiasis, African0low10
Trypanosomiasis, Bovine0low10
Trypanosomiasis, South American0low10
Tuberculin-Type Hypersensitivity0low10
Tumorigenic Transformation0low90
Tumors0medium402
Tumors, Breast0medium51
Type IV Hypersensitivity0low10
Typhoid0low10
Typhoid Fever0low10
Typhus, Abdominal0low10
u041Du0415u0420u0412u041Du041Eu0419 u0421u0418u0421u0422u0415u041Cu042B u0426u0415u041Du0422u0420u0410u041Bu042Cu041Du041Eu0419 u0411u041Eu041Bu0415u0417u041Du0418@ru0low10
u4E2Du67A2u795Eu7D4Cu7CFBu75BEu60A3@ja0low10
Undifferentiated Lymphoma0low70
Ureteral Diseases0low10
Visceral Steatosis0low40
Vitamin B 12 Deficiency0low10
Vitamin B 6 Deficiency0low20
Vitamin B12 Deficiency0low10
Vitamin B6 Deficiency0low20
Vitamin Deficiency, B60low20
Vomiting0medium11
Weight Gain0low10
Wilms Tumor0low10
Wilms Tumor 10low10
Wilms' Tumor0low10
X-Linked Hyperuricemia0low80
X-Linked Primary Hyperuricemia0low80
Xeroderma Pigmentosum0low10
Zentralnervensystemkrankheiten@de0low10
Ziekte, centraalzenuwstelsel-@nl0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (10)

ArticleYear
Effect of de novo purine synthesis inhibitors on 5-fluorouracil metabolism and cytotoxicity.
Biochemical pharmacology, Sep-01, Volume: 30, Issue: 17		1981
Developing structure-activity relationships for the prediction of hepatotoxicity.
Chemical research in toxicology, Jul-19, Volume: 23, Issue: 7		2010
Serum factors that suppress cytotoxic effect of methotrexate.
Experimental oncology, Volume: 31, Issue: 4		2009
Safety of umbilical cord blood-derived mesenchymal stem cells (MSCs) following 5-azaserine induction and inhibition of human cardiac myocyte apoptosis by MSCs.
Saudi medical journal, Volume: 30, Issue: 9		2009
Retrospective evaluation of serum ornithine carbamyltransferase activity as an index of hepatotoxicity in toxicological studies with rats.
Toxicology letters, Apr-03, Volume: 114, Issue: 1-3		2000
The cytotoxicity of DNA carboxymethylation and methylation by the model carboxymethylating agent azaserine in human cells.
Carcinogenesis, Volume: 20, Issue: 9		1999
The function of gamma-glutamyl transpeptidase as a determinant in cell sensitivity to azaserine toxicity.
Chemico-biological interactions, Volume: 52, Issue: 1		1984
Cellular toxicity of pancreatic carcinogens.
Journal of the National Cancer Institute, Volume: 76, Issue: 6		1986
Genotoxicity of pancreatic chemical carcinogens to propagable cultured normal pancreatic epithelial cells.
Experimental and molecular pathology, Volume: 53, Issue: 3		1990
Relationship between cytotoxicity and induction of sister-chromatid exchanges in mouse foetal cells exposed to several doses of carcinogenic and non-carcinogenic chemicals.
Mutation research, Volume: 63, Issue: 2		1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (1)

ArticleYear
Adenocarcinoma of the pancreas in azaserine-treated rats.
Cancer research, Volume: 35, Issue: 8		1975
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (1)

ArticleYear
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46		2019
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (8)

ArticleYear
Survival of silk worm, Bombyx mori in azaserine induced oxidative stress.
Comparative biochemistry and physiology. Toxicology & pharmacology : CBP, Volume: 228		2020
Inhibitory effects of acetylsalicylic acid on exocrine pancreatic carcinogenesis.
Biotechnic & histochemistry : official publication of the Biological Stain Commission, Volume: 88, Issue: 3-4		2013
[Inactivation of microbial glutamin-(asparagin-)ase by azaserine and 6-diazo-5-oxo-L-norleucine].
Biulleten' eksperimental'noi biologii i meditsiny, Volume: 100, Issue: 12		1985
Dietary intervention during the postdosing phase of L-azaserine-induced preneoplastic lesions.
Journal of the National Cancer Institute, Volume: 75, Issue: 5		1985
Mutagenicity of L-azaserine for V79 cells in a pancreatic acinar cell-mediated mutagenesis assay.
Pancreas, Volume: 2, Issue: 5		1987
Effect of dietary omega-3 and omega-6 fatty acids on development of azaserine-induced preneoplastic lesions in rat pancreas.
Journal of the National Cancer Institute, Jun-07, Volume: 81, Issue: 11		1989
Effect of chemical carcinogens on pancreatic DNA synthesis in vivo.
Gan, Volume: 67, Issue: 6		1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (4)

ArticleYear
Effects of sandostatin, alone and in combination with surgical castration, on pancreatic carcinogenesis in rats and hamsters.
International journal of cancer, Mar-15, Volume: 65, Issue: 6		1996
Effects of aminoglutethimide, alone and in combination with surgical castration, on pancreatic carcinogenesis in rats and hamsters.
International journal of cancer, Nov-27, Volume: 63, Issue: 5		1995
Effects of castration, alone and in combination with aminoglutethimide, on growth of (pre)neoplastic lesions in exocrine pancreas of rats and hamsters.
Carcinogenesis, Volume: 12, Issue: 9		1991
Effects of orchiectomy, alone or in combination with testosterone, and cyproterone acetate on exocrine pancreatic carcinogenesis in rats and hamsters.
International journal of pancreatology : official journal of the International Association of Pancreatology, Volume: 11, Issue: 2		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]