Compounds > ku 0063794
Page last updated: 2024-08-03 06:38:15

ku 0063794

Description

Ku 0063794: an mTOR inhibitor; structure in first source [MeSH]

Ku-0063794 : A member of the class of pyridopyrimidines that is an mTOR inhibitor and shows anti-tumour properties. [CHeBI]

Cross-References

ID SourceID
PubMed CID16736978
CHEMBL ID1078983
SCHEMBL ID290211
CHEBI ID85572
MeSH IDM0537268

Synonyms (50)

Synonym
HY-50710
AKOS005145564
(5-(2-((2r,6s)-2,6-dimethylmorpholino)-4-morpholinopyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol
bdbm50310989
chebi:85572 ,
CHEMBL1078983 ,
A25182
ku0063794
938440-64-3
ku-0063794 ,
EX-5106
ku 0063794
ku-63794
ku 63794
benzenemethanol, 5-(2-((2r,6s)-2,6-dimethyl-4-morpholinyl)-4-(4-morpholinyl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxy-
BCP9000821
(5-{2-[(2r,6s)-2,6-dimethylmorpholin-4-yl]-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol
NCGC00250396-01
(5-(2-((2s,6r)-2,6-dimethylmorpholino)-4-morpholinopyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol
CS-0065
S1226
c25h31n5o4
BRD-K67566344-001-01-8
SCHEMBL290211
smr004702805
MLS006011007
unii-81hjg228ab
81hjg228ab ,
J-501490
rel-5-[2-[(2r,6s)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxybenzenemethanol
{5-[2-((2s,6r)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-phenyl}-methanol
gtpl9360
[5-[2-[(2r,6s)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[5,6-e]pyrimidin-7-yl]-2-methoxyphenyl]methanol
rel-5-[2-[(2r,6s)-2,6-dimethyl-4-mo rpholinyl]-4-(4-morpholinyl)pyrido[2,3-d]pyrimidin -7-yl]-2-methoxybenzenemethanol
HB2250
AC-31515
(5-(2-(cis-2,6-dimethylmorpholino)-4-morpholinopyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol
DTXSID50239782
EX-A045
5-[2-[(2r,6s)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyben
ku 0063794, >=98% (hplc)
SW220188-1
Q27158643
mtor inhibitor iv, ku-63794 - cas 938440-64-3
F17370
mfcd22666594
AS-16210
BCP01931
AMY2729
CCG-264870

Roles (2)

RoleDescription
mTOR inhibitorA protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
antineoplastic agentA substance that inhibits or prevents the proliferation of neoplasms.

Drug Classes (5)

ClassDescription
morpholinesAny compound containing morpholine as part of its structure.
pyridopyrimidineAny organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring.
monomethoxybenzeneCompounds containing a benzene skeleton substituted with one methoxy group.
tertiary amino compoundA compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.
benzyl alcoholsCompounds containing a phenylmethanol skeleton.

Protein Targets (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Fumarate hydrataseHomo sapiens (human)Potency0.1321AID1347053
PPM1D proteinHomo sapiens (human)Potency1.3137AID1347411
EWS/FLI fusion proteinHomo sapiens (human)Potency0.6527AID1259252; AID1259253; AID1259255; AID1259256
polyproteinZika virusPotency0.1321AID1347053
Interferon betaHomo sapiens (human)Potency1.3137AID1347411

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoformHomo sapiens (human)IC505.3000AID468608; AID735574
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformHomo sapiens (human)IC508.9000AID468373; AID735577
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoformHomo sapiens (human)IC5030.0000AID468606; AID735576
Serine/threonine-protein kinase mTORHomo sapiens (human)IC500.1182AID1512681; AID1512682; AID1754883; AID468372; AID468611; AID468612; AID735573; AID735578
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Homo sapiens (human)IC5030.0000AID468607; AID735575
DNA-dependent protein kinase catalytic subunitHomo sapiens (human)IC5010.0000AID468610
Potassium voltage-gated channel subfamily H member 2Homo sapiens (human)IC508.3000AID735571
Serine/threonine-protein kinase ATRHomo sapiens (human)IC5010.0000AID468609
Rapamycin-insensitive companion of mTORHomo sapiens (human)IC500.0100AID1512682
Regulatory-associated protein of mTORHomo sapiens (human)IC500.3350AID1512681; AID735573
Target of rapamycin complex 2 subunit MAPKAP1Homo sapiens (human)IC500.0100AID1512682
Target of rapamycin complex subunit LST8Homo sapiens (human)IC500.2267AID1512681; AID1512682; AID735573

Bioassays (96)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1508628Confirmatory 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
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1508629Cell Viability qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID686947qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen2013Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15
ISSN: 1464-3405		Identification of potent Yes1 kinase inhibitors using a library screening approach.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347111qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347119qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347126qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1949-2553		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
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347117qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A 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
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347129qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347149Furin counterscreen qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347109qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347167Vero cells viability qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347125qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347152Confirmatory screen NINDS AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347124qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508627Counterscreen qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: GLuc-NoTag assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347161Confirmatory screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347121qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347115qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347168HepG2 cells viability qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347114qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347118qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347128qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347153Confirmatory 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
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347169Tertiary RLuc qRT-PCR qHTS assay for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347127qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347110qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347123qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347122qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1949-2553		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: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347113qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347112qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID468606Inhibition PI3K-beta-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID468370Inhibition of mTOR in human HeLa cells using 4E-BP1 substrate by ELISA2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID468607Inhibition PI3K-gamma-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID735572Inhibition of mTORC2 in human MDA-MB-468 cells assessed as reduction of AKT phosphorylation at Ser473 after 2 hrs2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735575Inhibition of PI3Kgamma (unknown origin) using lipid PIP2 as substrate2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735570Aqueous solubility of the compound in phosphate buffer at pH 7.4 after 24 hrs2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735573Inhibition of mTORC1 in human MDA-MB-468 cells assessed as reduction of pS6 phosphorylation at Ser235/236 after 2 hrs2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID468612Inhibition of mTORC2 in human U87MG cells assessed as phosphorylated AKT (Ser473) level after 2 hrs by Western blotting2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID735090Fraction unbound in mouse plasma by equilibrium dialysis technique2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735569Apparent permeability from apical to basolateral side of MDCK2 cells expressing human MDR1 at 10 uM2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID468610Inhibition of DNA-PK2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID735568Apparent permeability from basolateral to apical side of MDCK2 cells expressing human MDR1 at 10 uM2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735087Fraction unbound in human plasma by equilibrium dialysis technique2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID468613Antiproliferative activity against human T47D cells after 120 hrs by SRB assay2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID468608Inhibition PI3K-delta-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID735577Inhibition of PI3Kalpha (unknown origin) using lipid PIP2 as substrate2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735098Lipophilicity, log D of the compound2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735576Inhibition of PI3Kbeta (unknown origin) using lipid PIP2 as substrate2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735089Fraction unbound in rat plasma by equilibrium dialysis technique2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735086Clearance in rat at 1 umol/kg, iv2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735578Inhibition of recombinant FLAG-tagged mTOR (1362 to 2549) (unknown origin) expressed in HEK293 cells2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID468372Inhibition of recombinant FLAG-tagged mTOR expressed in HEK293 cells using biotinylated p70S6K substrate after 2 hrs by alphascreen competition assay2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID1512682Inhibition of mTORC2 in HEK293 cells using GST-tagged S6K1 or Akt1 as substrate after 30 mins by immunoblotting assay2018Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11
ISSN: 1520-4804		Design of Small Molecule Autophagy Modulators: A Promising Druggable Strategy.
AID735084Oral bioavailability in rat at 6 umol/kg2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID468611Inhibition of mTORC1 in human U87MG cells assessed as phosphorylated S6 ribosomal protein (Ser235/236) level after 2 hrs by Western blotting2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID1512681Inhibition of mTORC1 in HEK293 cells using GST-tagged S6K1 or Akt1 as substrate after 30 mins by immunoblotting assay2018Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11
ISSN: 1520-4804		Design of Small Molecule Autophagy Modulators: A Promising Druggable Strategy.
AID735094Oral bioavailability in CD1 mouse at 20 umol/kg2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735574Inhibition of PI3Kdelta (unknown origin) using lipid PIP2 as substrate2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID735088Clearance in CD1 mouse at 10 umol/kg, iv2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID468609Inhibition of ATR2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID1754883Inhibition of mTOR (unknown origin)2021Bioorganic & medicinal chemistry letters, 09-01, Volume: 47ISSN: 1464-3405Design, synthesis and biological evaluation of dual mTOR/HDAC6 inhibitors in MDA-MB-231 cells.
AID735571Inhibition of human ERG2013Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5
ISSN: 1464-3405		Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.
AID468373Inhibition PI3K-alpha-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay2009Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20
ISSN: 1464-3405		The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.
AID1347412qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1345726Human mechanistic target of rapamycin kinase (FRAP subfamily)2009The Biochemical journal, Jun-12, Volume: 421, Issue:1
ISSN: 1470-8728		Ku-0063794 is a specific inhibitor of the mammalian target of rapamycin (mTOR).

Research

Studies (55)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (3.64)29.6817
2010's39 (70.91)24.3611
2020's14 (25.45)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (1.82%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other54 (98.18%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
dimorpholamine
0
morpholines;
ureas		00low000000
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol
0
benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound		00low000000
doxapram
0
morpholines;
pyrrolidin-2-ones		central nervous system stimulant00low000000
hemicholinium 3
0
morpholines00low000000
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
0
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		00low000000
minaprine
0
morpholines;
pyridazines;
secondary amine		antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor		00low000000
moclobemide
0
benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic		00low000000
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
phenmetrazine
0
morpholinesmetabolite;
sympathomimetic agent		00low000000
pramoxine
0
aromatic ether;
morpholines		local anaesthetic00low000000
linsidomine
0
morpholines00low000000
morpholine
0
morpholines;
saturated organic heteromonocyclic parent		NMR chemical shift reference compound00low000000
trimetozine
0
morpholines00low000000
trifenmorph
0
morpholines00low000000
fenbutrazate
0
morpholines00low000000
tridemorph
0
morpholines;
tertiary amino compound		antifungal agrochemical00low000000
moricizine
0
carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug00low000000
morazone
0
morpholines00low000000
delmopinol
0
morpholines00low000000
3-morpholinopropylamine
0
morpholines;
primary amino compound		00low000000
morzid
0
morpholines00low000000
methoxy-morpholinyl-doxorubicin
0
anthracycline antibiotic;
morpholines;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
morphazinamide
0
morpholines;
pyrazines;
secondary carboxamide		00low000000
morpholinopropane sulfonic acid
0
MOPS;
morpholines;
organosulfonic acid		00low000000
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide
0
carbodiimide;
morpholines		cross-linking reagent00low000000
dextromoramide
0
morpholines;
N-acylpyrrolidine		opioid analgesic00low000000
landiolol
0
morpholines00low000000
mosapride
0
aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
pre 084
0
morpholines00low000000
xamoterol
0
morpholines00low000000
canertinib
0
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
birb 796
0
aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator		00low000000
Landiolol hydrochloride
0
morpholines00low000000
2-(4-morpholinoanilino)-6-cyclohexylaminopurine
0
morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent		00low000000
4-2-Aminoethyl-morpholine
0
morpholines00low000000
rocuronium
0
3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent		00low000000
linezolid
0
acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor		00low000000
cp-640186
0
anthracenes;
bipiperidines;
morpholines;
N-acylpiperidine		00low000000
4-Morpholinyl(4-pentylcyclohexyl)methanone
0
morpholines00low000000
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
0
morpholines00low000000
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-N-[2-(4-morpholinyl)phenyl]acetamide
0
morpholines00low000000
2-(2,4-dioxo-3-thiazolidinyl)-N-[4-(4-morpholinyl)phenyl]acetamide
0
morpholines00low000000
N-(2-methylphenyl)-2-[5-[4-(4-morpholinyl)phenyl]-2-tetrazolyl]acetamide
0
morpholines00low000000
5-[4-morpholinyl(oxo)methyl]-2-pyranone
0
morpholines00low000000
5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-morpholinyl)benzoic acid methyl ester
0
morpholines00low000000
N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
0
morpholines00low000000
4-(4-morpholinyl)-N-(pyridin-4-ylmethyl)aniline
0
morpholines00low000000
[4-amino-3-(4-methylphenyl)-2-sulfanylidene-5-thiazolyl]-(4-morpholinyl)methanone
0
morpholines00low000000
2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide
0
morpholines00low000000
DND-167 dye
0
morpholinesfluorochrome00low000000
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea
0
morpholines00low000000
2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
0
morpholines00low000000
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
0
morpholines00low000000
1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morpholinyl)phenyl]thiourea
0
morpholines00low000000
1-[5-(5-chloro-2-methylphenyl)-2-furanyl]-N-[4-(4-morpholinyl)phenyl]methanimine
0
morpholines00low000000
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester
0
morpholines00low000000
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide
0
morpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound		00low000000
1-(4-butylphenyl)-3-(4-morpholinyl)thiourea
0
morpholines00low000000
5-[[2-methoxy-4-(4-morpholinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
0
morpholines00low000000
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamide
0
morpholines00low000000
2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
0
morpholines00low000000
2-[(2-hydroxy-1-naphthalenyl)methyl-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide
0
morpholines00low000000
N-(2,5-diethoxy-4-morpholinophenyl)acetamide
0
morpholines00low000000
Benzo[b]thiophen-2-yl(morpholino)methanone
0
morpholines00low000000
5-(4-morpholinoanilino)-5-oxo-3-phenylpentanoic acid
0
morpholines00low000000
N-(2-morpholinophenyl)-N'-phenylurea
0
morpholines00low000000
N,N'-di[4-(2,6-dimethylmorpholino)phenyl]thiourea
0
morpholines00low000000
3,5,7-trimethyl-N-[4-morpholinyl(sulfanylidene)methyl]-1-adamantanecarboxamide
0
morpholines00low000000
N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline
0
morpholines00low000000
N-[2-(4-methoxyphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline
0
morpholines00low000000
[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethyl-4-morpholinyl)methanone
0
morpholines00low000000
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
0
morpholines00low000000
1-[4-(dimethylamino)phenyl]-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dione
0
morpholines00low000000
1-(2,4-dimethoxyphenyl)-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dione
0
morpholines00low000000
N-[3-chloro-4-(4-morpholinyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine
0
morpholines00low000000
7-[(2,6-dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone
0
morpholines;
thiazolopyrimidine		00low000000
3-(4-chlorophenyl)sulfonyl-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]propanamide
0
morpholines00low000000
3-(methanesulfonamido)benzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester
0
morpholines00low000000
2-(4-chloro-2-methylphenoxy)-N-[2-(4-morpholinyl)phenyl]propanamide
0
morpholines00low000000
3-amino-5-morpholinomethyl-2-oxazolidinone
0
morpholines;
oxazolidinone		marine xenobiotic metabolite;
xenobiotic metabolite		00low000000
5-ethyl-2-[[[3-(4-morpholinyl)-4-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester
0
morpholines00low000000
1-methyl-N-[4-(4-morpholinyl)phenyl]-2-quinolinimine
0
morpholines00low000000
4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
0
morpholines;
pyranopyrazole		00low000000
4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
0
morpholines;
pyranopyrazole		00low000000
(4-amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone
0
morpholines00low000000
LSM-19878
0
morpholines00low000000
2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester
0
morpholines00low000000
4-(4-morpholinyl)-3-nitro-N-(2-thiazolyl)benzamide
0
morpholines00low000000
2-(1-adamantyl)-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]acetamide
0
morpholines00low000000
2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-1-(4-methyl-1-piperidinyl)-1-propanone
0
morpholines00low000000
[4-[bis(4-morpholinyl)phosphoryl]-1-methyl-2-pyrrolyl]-bis(4-morpholinyl)-sulfanylidenephosphorane
0
morpholines00low000000
5-benzoyl-6-methyl-4-[4-(4-morpholinyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
0
morpholines00low000000
purmorphamine
0
aromatic ether;
morpholines;
purines;
secondary amino compound		osteogenesis regulator;
SMO receptor agonist		00low000000
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone
0
morpholines;
naphthyl ketone;
organic heterotricyclic compound;
synthetic cannabinoid		analgesic;
apoptosis inhibitor;
neuroprotective agent		00low000000
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
DPI2
0
benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone		ferroptosis inducer00low000000
N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine
0
morpholines00low000000
rivaroxaban
0
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		00low000000
pi103
0
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
zm 447439
0
aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor		00low000000
tae226
0
morpholines00low000000
flumorph
0
aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide		00low000000
epoxomicin
0
morpholines;
tripeptide		proteasome inhibitor00low000000
MI-63
0
azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide		apoptosis inducer00low000000
chir 090
0
acetylenic 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		00low000000
carfilzomib
0
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		00low000000
zstk474
0
benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
1-(4-bromophenyl)-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]thiourea
0
morpholines00low000000
4-[(2-heptan-3-yl-1,3-dioxolan-4-yl)methyl]-4-methylmorpholin-4-ium
0
morpholines00low000000
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-morpholinyl)phenyl]-3-imidazo[1,2-a]pyrazinamine
0
morpholines00low000000
buparlisib
0
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
gdc 0941
0
indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor00low000000
lde225
0
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
quizartinib
0
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		00low000000
navitoclax
0
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
0
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
cobicistat
0
1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas		P450 inhibitor00low000000
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
0
benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor		00low000000
alectinib
0
aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
3-fluorophenmetrazine
0
morpholines00low000000
HG-10-102-01
0
aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
MLI-2
0
aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
aprepitant
0
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist		00low000000
fosaprepitant
0
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles		antiemetic;
neurokinin-1 receptor antagonist;
prodrug		00low000000
2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[4-(4-morpholinyl)phenyl]acetamide
0
morpholines00low000000
ver 52296
0
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		00low000000
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile
0
hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor		00low000000
pd 173074
0
aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
pd 158780
0
aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pipemidic acid
0
amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		00low000000
piromidic acid
0
monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor		00low000000
risperidone
0
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist		00low000000
trequinsin
0
pyridopyrimidine00low000000
pemirolast
0
pyridopyrimidine00low000000
ocaperidone
0
pyridopyrimidine00low000000
probon
0
pyridopyrimidine00low000000
8-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl ester
0
pyridopyrimidine00low000000
paliperidone
0
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol		00low000000
pd 173955
0
aryl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine		tyrosine kinase inhibitor00low000000
2-imino-N,8-dimethyl-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
3-(benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d-3',4'-f]pyrimidinone
0
pyridopyrimidine00low000000
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
0
pyridopyrimidine00low000000
LSM-33283
0
pyridopyrimidine00low000000
LSM-20487
0
pyridopyrimidine00low000000
LSM-31933
0
pyridopyrimidine00low000000
N-cyclopentyl-2-imino-1-[3-(4-morpholinyl)propyl]-5-oxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
LSM-28559
0
pyridopyrimidine00low000000
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
2-imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-1-(3-pyridinylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
3-(benzenesulfonyl)-2-imino-1-propyl-5-dipyrido[1,2-d-3',4'-f]pyrimidinone
0
pyridopyrimidine00low000000
7-methyl-4-oxo-2-[(phenylmethyl)amino]-3-pyrido[1,2-a]pyrimidinecarboxaldehyde
0
pyridopyrimidine00low000000
6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
0
pyridopyrimidine00low000000
2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]imino-1-(2-methylpropyl)-5-oxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxylic acid ethyl ester
0
pyridopyrimidine00low000000
LSM-26967
0
pyridopyrimidine00low000000
2-[2-furanyl(oxo)methyl]imino-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxylic acid ethyl ester
0
pyridopyrimidine00low000000
1-(2-methoxyethyl)-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
0
pyridopyrimidine00low000000
1-butyl-2,4-dioxo-7-thiophen-2-yl-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
0
pyridopyrimidine00low000000
1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
2-methyl-1-cyclopropanecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
0
pyridopyrimidine00low000000
2-imino-1-[(4-methylphenyl)methyl]-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
2-(3-ethoxypropylamino)-8-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-pyrimidinecarboxamide
0
pyridopyrimidine00low000000
3-[2,4-dioxo-1-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-quinazolinyl]-N-(2-furanylmethyl)propanamide
0
pyridopyrimidine00low000000
2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester
0
isopropyl ester;
pyridopyrimidine		00low000000
2-chloro-6-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
0
pyridopyrimidine00low000000
N-(2-furanylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
1-(3-ethoxypropyl)-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester
0
pyridopyrimidine00low000000
1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester
0
pyridopyrimidine00low000000
2-benzoylimino-1-(2-furanylmethyl)-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester
0
pyridopyrimidine00low000000
6-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acid
0
pyridopyrimidine00low000000
3-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid
0
pyridopyrimidine00low000000
2-chloro-8-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
0
pyridopyrimidine00low000000
3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e-4',3'-f]pyrimidinone
0
pyridopyrimidine00low000000
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
3-(4-fluorophenyl)sulfonyl-1-(2-furanylmethyl)-2-imino-10-methyl-5-dipyrido[3,4-c-1',2'-f]pyrimidinone
0
pyridopyrimidine00low000000
LSM-27960
0
pyridopyrimidine00low000000
1-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-(3-fluoro-4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
0
pyridopyrimidine00low000000
LSM-16446
0
pyridopyrimidine00low000000
2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
0
pyridopyrimidine00low000000
LSM-16483
0
pyridopyrimidine00low000000
5-[[2-(diethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione
0
pyridopyrimidine00low000000
LSM-28172
0
pyridopyrimidine00low000000
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
0
pyridopyrimidine00low000000
8-(1-piperidinylsulfonyl)-6-pyrido[1,2-a]quinazolinone
0
pyridopyrimidine00low000000
pd 166866
0
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
palbociclib
0
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
5-deazaflavin
0
pyridopyrimidine00low000000
gw2974
0
pyridopyrimidine00low000000
1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarbonitrile
0
pyridopyrimidine00low000000
paliperidone palmitate
0
1,2-benzoxazoles;
fatty acid ester;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		00low000000
ssr 69071
0
pyridopyrimidine00low000000
tgx 221
0
pyridopyrimidine00low000000
trametinib
0
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		00low000000
pamapimod
0
aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound		antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide
0
pyridopyrimidine00low000000
3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
0
pyridopyrimidine00low000000
kin-193
0
pyridopyrimidine00low000000
ly3009120
0
aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor		00low000000
sotorasib
0
acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent00low000000
vanillin
0
benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite		00low000000
3-methoxytyramine
0
monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		biomarker;
human blood serum metabolite;
human urinary metabolite		00low000000
3-hydroxy-4-methoxyphenethylamine
0
monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		human metabolite;
rat metabolite		00low000000
nemonapride
0
benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline		00low000000
oxybenzone
0
hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic		00low000000
venlafaxine
0
cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic		00low000000
2,4,6-trichloroanisole
0
monomethoxybenzene;
trichlorobenzene		00low000000
2-anisidine
0
monomethoxybenzene;
primary amino compound;
substituted aniline		genotoxin;
reagent		00low000000
4-acetylanisole
0
acetophenones;
monomethoxybenzene		00low000000
anisole
0
monomethoxybenzeneplant metabolite00low000000
methyl 4-anisate
0
benzoate ester;
monomethoxybenzene		00low000000
estragole
0
alkenylbenzene;
monomethoxybenzene;
phenylpropanoid		carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite		00low000000
3-hydroxyanisole
0
monomethoxybenzene;
phenols		00low000000
3-methoxytyrosine
0
aromatic L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monomethoxybenzene;
non-proteinogenic L-alpha-amino acid		human metabolite00low000000
3-methoxybenzaldehyde
0
benzaldehydes;
monomethoxybenzene		Brassica napus metabolite00low000000
isovanillin
0
benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite		00low000000
methoxuron
0
3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes;
monomethoxybenzene		agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
plant growth regulator;
xenobiotic		00low000000
zingerone
0
methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent		00low000000
ranolazine
0
aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol		00low000000
5-methoxyresorcinol
0
monomethoxybenzene;
resorcinols		Brassica napus metabolite00low000000
6-paradol
0
ketone;
monomethoxybenzene;
phenols		00low000000
2-hydroxy-5-methoxybenzaldehyde
0
benzaldehydes;
monomethoxybenzene;
phenols		00low000000
o-methyltyrosine
0
monomethoxybenzene;
tyrosine derivative		00low000000
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole
0
ether;
imidazoles;
monomethoxybenzene		TRP channel blocker00low000000
methoxyfenozide
0
carbohydrazide;
monomethoxybenzene		environmental contaminant;
insecticide;
xenobiotic		00low000000
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
0
dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule		00low000000
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl-)-1-pentanone
0
dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule		00low000000
yakuchinone-a
0
ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
gingerdione
0
beta-diketone;
monomethoxybenzene;
phenols		00low000000
8-gingerol
0
beta-hydroxy ketone;
monomethoxybenzene;
phenols		00low000000
10-gingerol
0
beta-hydroxy ketone;
monomethoxybenzene;
phenols		00low000000
2',6'-dihydroxy-4'-methoxydihydrochalcone
0
dihydrochalcones;
monomethoxybenzene;
polyphenol		antiplasmodial drug;
radical scavenger		00low000000
enrasentan
0
aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist		00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
(E)-2-methoxycinnamic acid
0
cinnamic acids;
monomethoxybenzene		Brassica napus metabolite;
EC 1.14.18.1 (tyrosinase) inhibitor		00low000000
GS4012 free base
0
aryl sulfide;
monomethoxybenzene;
pyridines		VEGF activator00low000000
2-methoxy-4-prop-1-enylphenyl acetate
0
monomethoxybenzene;
phenyl acetates;
phenylpropanoid		00low000000
n-desmethylvenlafaxine
0
cyclohexanols;
monomethoxybenzene;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite		00low000000
ML162
0
monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes		EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer		00low000000
ver-49009
0
aromatic amide;
monochlorobenzenes;
monomethoxybenzene;
pyrazoles;
resorcinols		Hsp90 inhibitor00low000000
shogaol
0
enone;
monomethoxybenzene;
phenols		00low000000
kn 93
0
monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound		EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector		00low000000
sappanchalcone
0
catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite		00low000000
3-deoxysappanchalcone
0
chalcones;
monomethoxybenzene;
phenols		metabolite00low000000
7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin
0
hydroxycoumarin;
monomethoxybenzene		00low000000
aliskiren
0
monocarboxylic acid amide;
monomethoxybenzene		antihypertensive agent00low000000
resiniferatoxin
0
carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist		00low000000
strobilurin b
0
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
monochlorobenzenes;
monomethoxybenzene		antifungal agent;
fungal metabolite;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
(8)-shogaol
0
enone;
monomethoxybenzene;
phenols		00low000000
(10)-shogaol
0
enone;
monomethoxybenzene;
phenols		00low000000
capsiate
0
carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite		00low000000
avenanthramide b
0
amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin		00low000000
betrixaban
0
benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		00low000000
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone
0
chalcones;
monomethoxybenzene;
resorcinols		EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite		00low000000
dihydroconiferyl alcohol glucoside
0
beta-D-glucoside;
monomethoxybenzene;
monosaccharide derivative;
primary alcohol		plant metabolite00low000000
asp3026
0
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor		00low000000
fluazaindolizine
0
aromatic amide;
imidazopyridine;
monocarboxylic acid amide;
monochlorobenzenes;
monomethoxybenzene;
N-sulfonylcarboxamide;
organofluorine pesticide		agrochemical;
nematicide		00low000000
gilteritinib
0
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
AZD3463
0
aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
ML355
0
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor		00low000000
osimertinib
0
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
quinacrine
0
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		00low000000
8-hydroxy-2-(di-n-propylamino)tetralin
0
phenols;
tertiary amino compound;
tetralins		serotonergic antagonist00low000000
sk&f 77434
0
benzazepine;
catechols;
tertiary amino compound		dopamine agonist00low000000
ethylisopropylamiloride
0
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		00low000000
methylbufotenin
0
aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite		00low000000
ro 48-8071
0
aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor		00low000000
amiodarone
0
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug00low000000
amodiaquine
0
aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
antazoline
0
aromatic amine;
imidazolines;
tertiary amino compound		cholinergic antagonist;
H1-receptor antagonist;
xenobiotic		00low000000
azelastine
0
monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor		00low000000
benefin
0
C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound		agrochemical;
herbicide		00low000000
biperiden
0
piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic		00low000000
bromhexine
0
organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic00low000000
bromodiphenhydramine
0
organobromine compound;
tertiary amino compound		antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist		00low000000
bupivacaine
0
aromatic amide;
piperidinecarboxamide;
tertiary amino compound		00low000000
verapamil
0
aromatic ether;
nitrile;
polyether;
tertiary amino compound		00low000000
carbinoxamine
0
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist		00low000000
chlorambucil
0
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		00low000000
chloroquine
0
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		00low000000
chlorpheniramine
0
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor		00low000000
citalopram
0
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound		00low000000
clofedanol
0
diarylmethane;
tertiary amino compound		antitussive00low000000
cyclopentolate
0
carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic		00low000000
cycrimine
0
piperidines;
tertiary alcohol;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist		00low000000
dibucaine
0
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic00low000000
dilacor xr
0
acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound		00low000000
diphenhydramine
0
ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative		00low000000
dipyridamole
0
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		00low000000
disopyramide
0
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug00low000000
doxepin
0
dibenzooxepine;
tertiary amino compound		antidepressant00low000000
profenamine
0
phenothiazines;
tertiary amino compound		adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist		00low000000
flavoxate
0
carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic		00low000000
flurazepam
0
1,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative		00low000000
vanoxerine
0
ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound		dopamine uptake inhibitor00low000000
gbr 12935
0
ether;
N-alkylpiperazine;
tertiary amino compound		dopamine uptake inhibitor00low000000
hydroxychloroquine
0
aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug		00low000000
lidocaine
0
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		00low000000
isothipendyl
0
aromatic amine;
tertiary amino compound		00low000000
ketotifen
0
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist		00low000000
lofepramine
0
aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant00low000000
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide
0
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
meperidine
0
ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic		00low000000
mesoridazine
0
phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic		00low000000
methadone
0
benzenes;
diarylmethane;
ketone;
tertiary amino compound		00low000000
methiothepin
0
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist		00low000000
metoclopramide
0
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic		00low000000
minoxidil
0
dialkylarylamine;
tertiary amino compound		00low000000
monodansylcadaverine
0
aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent		00low000000
mosapramine
0
azaspiro compound;
dibenzoazepine;
organochlorine compound;
tertiary amino compound		00low000000
clorgyline
0
aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor		00low000000
nefopam
0
benzoxazocine;
tertiary amino compound		00low000000
nicardipine
0
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound		00low000000
nizatidine
0
1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist		00low000000
orphenadrine
0
ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		00low000000
benoxinate
0
amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound		drug allergen;
local anaesthetic;
topical anaesthetic		00low000000
oxybutynin
0
acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic		00low000000
pheniramine
0
pyridines;
tertiary amino compound		00low000000
pipamperone
0
aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		00low000000
pj-34
0
phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent		00low000000
procaine
0
benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug		00low000000
propiomazine
0
aromatic ketone;
phenothiazines;
tertiary amino compound		dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist		00low000000
psilocin
0
hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid		drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist		00low000000
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
0
benzazepine;
organochlorine compound;
tertiary amino compound		dopaminergic antagonist00low000000
setiptiline
0
tertiary amino compound;
tetracyclic antidepressant		alpha-adrenergic antagonist;
serotonergic antagonist		00low000000
sibutramine
0
organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor		00low000000
spiperone
0
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist		00low000000
tetracaine
0
benzoate ester;
tertiary amino compound		local anaesthetic00low000000
tilorone
0
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		00low000000
tosufloxacin
0
1,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound		00low000000
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine
0
N-substituted diamine;
pyridines;
tertiary amino compound		apoptosis inducer;
chelator;
copper chelator		00low000000
ultram
0
aromatic ether;
tertiary alcohol;
tertiary amino compound		00low000000
trimethobenzamide
0
benzamides;
tertiary amino compound		antiemetic00low000000
trimipramine
0
dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic		00low000000
zotepine
0
dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug		00low000000
phentolamine
0
imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent		00low000000
vincristine
0
acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		00low000000
aminopyrine
0
pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		00low000000
tetrabenazine
0
benzoquinolizine;
cyclic ketone;
tertiary amino compound		00low000000
acepromazine
0
aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound		phenothiazine antipsychotic drug00low000000
egtazic acid
0
diether;
tertiary amino compound;
tetracarboxylic acid		chelator00low000000
gramine
0
aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist		00low000000
thenyldiamine
0
dialkylarylamine;
tertiary amino compound		00low000000
4-(dimethylamino)benzaldehyde
0
benzaldehydes;
substituted aniline;
tertiary amino compound		chromogenic compound00low000000
2-diethylaminoethanol
0
ethanolamines;
primary alcohol;
tertiary amino compound		00low000000
triethanolamine
0
amino alcohol;
tertiary amino compound;
triol		buffer;
surfactant		00low000000
4-nitrosodimethylaniline
0
dimethylaniline;
nitroso compound;
tertiary amino compound		00low000000
triethylenediamine
0
bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound		antioxidant;
catalyst;
reagent		00low000000
galantamine
0
benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite		00low000000
beta-erythroidine
0
delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		muscle relaxant;
plant metabolite		00low000000
psilocybin
0
organic phosphate;
tertiary amino compound;
tryptamine alkaloid		fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist		00low000000
neutral red base
0
aromatic amine;
phenazines;
primary amino compound;
tertiary amino compound		acid-base indicator;
dye;
two-colour indicator		00low000000
benzydamine
0
aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug		00low000000
4-dimethylaminopyridine
0
dialkylarylamine;
tertiary amino compound		00low000000
prothipendyl
0
aromatic amine;
tertiary amino compound		00low000000
dymanthine
0
tertiary amino compound00low000000
azaperone
0
aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist		00low000000
glaucine
0
aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite		00low000000
glyphosphine
0
glycine derivative;
phosphonic acids;
tertiary amino compound		plant growth retardant00low000000
c.i. solvent yellow 56
0
azobenzenes;
substituted aniline;
tertiary amino compound		dye;
mutagen		00low000000
4-dimethylaminophenol
0
dialkylarylamine;
tertiary amino compound		00low000000
ethyl 4-dimethylaminobenzoate
0
benzoate ester;
ethyl ester;
tertiary amino compound		00low000000
mopidamol
0
dialkylarylamine;
tertiary amino compound		00low000000
thenalidine
0
dialkylarylamine;
tertiary amino compound		00low000000
oryzalin
0
aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound		agrochemical;
antimitotic;
herbicide		00low000000
pirimicarb
0
aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic		00low000000
dihydro-beta-erythroidine
0
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		nicotinic antagonist00low000000
propamocarb
0
carbamate ester;
carbamate fungicide;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
xenobiotic		00low000000
amitraz
0
formamidines;
tertiary amino compound		acaricide;
environmental contaminant;
insecticide;
xenobiotic		00low000000
butaclamol
0
amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist00low000000
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
0
isoquinolinol;
tertiary amino compound		human metabolite;
neurotoxin;
rat metabolite		00low000000
vx
0
organic thiophosphate;
tertiary amino compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin		00low000000
vindesine
0
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent00low000000
miglustat
0
piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor		00low000000
loceryl
0
morpholine antifungal drug;
tertiary amino compound		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor		00low000000
mifepristone
0
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		00low000000
carmoxirole
0
indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine		antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor		00low000000
naxagolide
0
organic heterotricyclic compound;
phenols;
tertiary amino compound		anticonvulsant;
antiparkinson drug;
dopamine agonist		00low000000
temafloxacin
0
amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound		00low000000
tiagabine
0
beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor		00low000000
eliprodil
0
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		00low000000
irinotecan
0
carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
carfentanil
0
methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug		00low000000
acridine orange
0
aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye		00low000000
tenocyclidine
0
piperidines;
tertiary amino compound;
thiophenes		central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist		00low000000
nelfinavir
0
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		00low000000
plerixafor
0
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant		00low000000
nile red
0
aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound		fluorochrome;
histological dye		00low000000
cephalotaxine
0
benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound		00low000000
d 888
0
aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent		00low000000
4-(diethylamino)benzaldehyde
0
aromatic amine;
benzaldehydes;
tertiary amino compound		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor00low000000
spiramide
0
aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
serotonergic antagonist		00low000000
propildazine
0
dialkylarylamine;
tertiary amino compound		00low000000
uk 68798
0
aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker		00low000000
hp 873
0
1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist		00low000000
tubulosine
0
beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound		00low000000
voacamine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite		00low000000
dauricine
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite00low000000
rivastigmine
0
carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent		00low000000
dimethylformamide-dimethylacetal
0
acetal;
tertiary amino compound		chromatographic reagent00low000000
n-(3-(dimethylamino)propyl)methacrylamide
0
tertiary amino compound00low000000
n,n-diisopropylethylamine
0
tertiary amino compound00low000000
spiroxamine
0
dioxolane;
spiroketal;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic		00low000000
mor-14
0
hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite		00low000000
triflusulfuron-methyl
0
1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide		00low000000
allocryptopine
0
aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		00low000000
sporidesmin
0
aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator		00low000000
ecgonine methyl ester
0
methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug		00low000000
ecteinascidin 743
0
acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite		00low000000
aporphine
0
aporphine alkaloid;
isoquinoline alkaloid fundamental parent;
tertiary amino compound		00low000000
efonidipine
0
C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound		00low000000
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
0
benzenes;
coumarins;
maleimides;
tertiary amino compound		fluorescent dye00low000000
lofentanil
0
methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic		00low000000
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine
0
1-benzothiophenes;
piperidines;
tertiary amino compound		dopamine uptake inhibitor00low000000
desvenlafaxine
0
cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite		00low000000
xaliproden
0
(trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine		serotonergic agonist00low000000
ulipristal acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester;
tertiary amino compound		contraceptive drug;
progesterone receptor modulator;
progestin		00low000000
sr 57227a
0
dialkylarylamine;
tertiary amino compound		00low000000
ivabradine
0
aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound		cardiotonic drug00low000000
2,8-dinitroimipramine
0
C-nitro compound;
dibenzoazepine;
tertiary amino compound		00low000000
sk&f 83959
0
benzazepine;
catechols;
organochlorine compound;
tertiary amino compound		dopamine agonist00low000000
corytuberine
0
aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite00low000000
5,6-didehydrosparteine
0
organic heterotetracyclic compound;
quinolizidine alkaloid;
tertiary amino compound		human xenobiotic metabolite00low000000
stephenanthrine
0
cyclic acetal;
organic heterotetracyclic compound;
tertiary amino compound		00low000000
hydromethylthionine
0
aromatic amine;
phenothiazines;
tertiary amino compound		bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite		00low000000
nbi 27914
0
dialkylarylamine;
tertiary amino compound		00low000000
top 53
0
furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
antalarmin
0
pyrrolopyrimidine;
tertiary amino compound		corticotropin-releasing factor receptor antagonist00low000000
alpha-putrescinylthymine
0
N-substituted putrescine;
pyrimidine nucleobase;
pyrimidone;
secondary amino compound;
tertiary amino compound		00low000000
dronedarone
0
1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic		00low000000
l 778,123
0
imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor		00low000000
vincaleukoblastine
0
acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
azaleucine
0
alanine derivative;
leucine derivative;
non-proteinogenic alpha-amino acid;
tertiary amino compound		00low000000
nsc 23766
0
aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist		00low000000
gant 61
0
aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor		00low000000
conessine
0
steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite		00low000000
deltaline
0
acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound		00low000000
oxyacanthine
0
bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound		00low000000
ergonovine
0
ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		diagnostic agent;
fungal metabolite;
oxytocic;
toxin		00low000000
colforsin daropate
0
acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent		00low000000
cocaine
0
benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic		00low000000
afimoxifene
0
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		00low000000
efinaconazole
0
conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor00low000000
n-nonyl-1-deoxynojirimycin
0
hydroxypiperidine;
tertiary amino compound		antiviral agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.2.1.45 (glucosylceramidase) inhibitor		00low000000
3-(4-chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine
0
dialkylarylamine;
tertiary amino compound		00low000000
n-methylproline
0
L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound		human metabolite;
plant metabolite		00low000000
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
0
dialkylarylamine;
tertiary amino compound		00low000000
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
0
dialkylarylamine;
tertiary amino compound		00low000000
7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine
0
aromatic amine;
tertiary amino compound		00low000000
tiamulin
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug00low000000
2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile
0
aromatic amine;
tertiary amino compound		00low000000
N-[4-(diethylamino)phenyl]-N'-phenylurea
0
dialkylarylamine;
tertiary amino compound		00low000000
4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone
0
dialkylarylamine;
tertiary amino compound		00low000000
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine
0
dialkylarylamine;
tertiary amino compound		00low000000
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
0
piperidines;
quinazolines;
tertiary amino compound;
toluenes		00low000000
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
0
aromatic amine;
tertiary amino compound		00low000000
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol
0
aromatic amine;
tertiary amino compound		00low000000
4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol
0
dialkylarylamine;
tertiary amino compound		00low000000
4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone
0
dialkylarylamine;
tertiary amino compound		00low000000
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine
0
pyridines;
quinazolines;
tertiary amino compound		00low000000
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile
0
dialkylarylamine;
tertiary amino compound		00low000000
2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
dialkylarylamine;
tertiary amino compound		00low000000
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
0
aromatic amine;
tertiary amino compound		00low000000
tamoxifen
0
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		00low000000
3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide
0
dialkylarylamine;
tertiary amino compound		00low000000
wiskostatin
0
carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound		00low000000
2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid
0
dialkylarylamine;
tertiary amino compound		00low000000
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine
0
aromatic amine;
tertiary amino compound		00low000000
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine
0
dialkylarylamine;
tertiary amino compound		00low000000
3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline
0
dialkylarylamine;
tertiary amino compound		00low000000
ranitidine
0
C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic		00low000000
stenusin
0
piperidine alkaloid;
tertiary amino compound		00low000000
tandutinib
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
dasatinib
0
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		00low000000
noribogaine
0
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound		kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor		00low000000
2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
dialkylarylamine;
tertiary amino compound		00low000000
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone
0
aromatic amine;
tertiary amino compound		00low000000
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide
0
dialkylarylamine;
tertiary amino compound		00low000000
5-(1-azepanyl)-1,3,4-thiadiazol-2-amine
0
dialkylarylamine;
tertiary amino compound		00low000000
3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione
0
dialkylarylamine;
tertiary amino compound		00low000000
nafadotride
0
aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist00low000000
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine
0
aromatic amine;
tertiary amino compound		00low000000
clopidogrel carboxylic acid
0
monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite		00low000000
LY-310762
0
aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound		receptor modulator;
serotonergic antagonist		00low000000
ly 367265
0
dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor		00low000000
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine
0
aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound		00low000000
3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
0
dialkylarylamine;
tertiary amino compound		00low000000
mycophenolate mofetil
0
carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug		00low000000
cassaine
0
enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid		antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison		00low000000
josamycin
0
acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite		00low000000
acetylspiramycin
0
acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite		00low000000
n,n-dimethylsphingenine
0
aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite		00low000000
alvocidib
0
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin
0
1,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound		Hsp90 inhibitor00low000000
morphine
0
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic		00low000000
bosutinib
0
aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
su 11652
0
olefinic compound;
organochlorine compound;
oxindoles;
pyrrolecarboxamide;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor		00low000000
bedaquiline
0
aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor		00low000000
catharanthine
0
alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		00low000000
oripavine
0
ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound		bacterial xenobiotic metabolite;
opioid analgesic		00low000000
cinanserin
0
aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound		anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin
0
organoiodine compound;
phenols;
tertiary amino compound;
tetralins		dopamine agonist00low000000
sdz eaa 494
0
monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
demycarosylturimycin h
0
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite		00low000000
ro 25-6981
0
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
yunaconitine
0
acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic		00low000000
eaa-090
0
dialkylarylamine;
tertiary amino compound		00low000000
prasugrel
0
acetate ester;
cyclopropanes;
ketone;
monofluorobenzenes;
tertiary amino compound;
thienopyridine		00low000000
bay 58-2667
0
aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
muromonab-cd3
0
alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite		00low000000
px-866
0
acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor00low000000
selexipag
0
aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound		orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent		00low000000
tofacitinib
0
N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
mre 269
0
aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent		00low000000
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride
0
aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound		antipsychotic agent;
receptor modulator		00low000000
NNC 55-0396 (free base)
0
benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
pateamine a
0
1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound		antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite		00low000000
pimavanserin
0
aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas		5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist		00low000000
bibw 2992
0
aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
edoxaban
0
chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor		00low000000
akuammicine
0
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite00low000000
crenolanib
0
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
PDGF receptor tyrosine kinase inhibitor III
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor00low000000
abt-737
0
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
azd 8931
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
azd 1152
0
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
finafloxacin
0
cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent		00low000000
sarpagine
0
indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound		00low000000
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one
0
alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite		00low000000
azd 1152-hqpa
0
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		00low000000
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one
0
aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound		00low000000
flupyradifurone
0
butenolide;
enamine;
monochloropyridine;
organofluorine insecticide;
tertiary amino compound		insecticide;
nicotinic acetylcholine receptor agonist		00low000000
alcaftadine
0
aldehyde;
imidazobenzazepine;
piperidines;
tertiary amino compound		anti-allergic agent;
H1-receptor antagonist		00low000000
benzoylaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite		00low000000
deoxyaconitine
0
acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound		plant metabolite00low000000
2-[[4-(4-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
dialkylarylamine;
tertiary amino compound		00low000000
2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
dialkylarylamine;
tertiary amino compound		00low000000
2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol
0
dialkylarylamine;
tertiary amino compound		00low000000
vindolinine
0
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite00low000000
tenovin-6
0
monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor		00low000000
benzoylmesaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite		00low000000
sch772984
0
biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
0
dialkylarylamine;
tertiary amino compound		00low000000
(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
0
dialkylarylamine;
tertiary amino compound		00low000000
N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
0
dialkylarylamine;
tertiary amino compound		00low000000
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
0
dialkylarylamine;
tertiary amino compound		00low000000
3-cyclohexyl-1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
0
dialkylarylamine;
tertiary amino compound		00low000000
1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
0
dialkylarylamine;
tertiary amino compound		00low000000
cblc137
0
aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator		00low000000
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea
0
dialkylarylamine;
tertiary amino compound		00low000000
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
tubastatin a
0
hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor00low000000
pracinostat
0
benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
delgocitinib
0
azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide		anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
pf 956980
0
N-acylpiperidine;
N-acylpyrrolidine;
pyrrolopyrimidine;
tertiary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor00low000000
gsk2879552
0
benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor		00low000000
as 1842856
0
organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent		00low000000
ap20187
0
aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand00low000000
BDA-366
0
anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer		00low000000
5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol
0
dialkylarylamine;
tertiary amino compound		00low000000
sb-590885
0
aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound		00low000000
4-hydroxybenzyl alcohol
0
benzyl alcohols;
phenols		plant metabolite00low000000
benzyl alcohol
0
benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent		00low000000
cuminol
0
benzyl alcohols;
p-menthane monoterpenoid		fragrance;
insect repellent;
plant metabolite;
volatile oil component;
xenobiotic metabolite		00low000000
hydroxymethyltolbutamide
0
benzyl alcohols;
sulfonamide;
ureas		metabolite00low000000
benzohydrol
0
benzyl alcohols;
secondary alcohol		bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite		00low000000
veratryl alcohol
0
benzyl alcohols;
dimethoxybenzene;
primary alcohol		fungal metabolite00low000000
anisyl alcohol
0
benzyl alcohols00low000000
2,3,4,5,6-pentafluorobenzyl alcohol
0
benzyl alcohols;
organofluorine compound		00low000000
2-phenyl-2-propanol
0
benzyl alcohols;
tertiary alcohol		human xenobiotic metabolite;
Mycoplasma genitalium metabolite		00low000000
dichlorobenzyl alcohol
0
benzyl alcohols;
dichlorobenzene		antiseptic drug00low000000
3-phenoxybenzylalcohol
0
aromatic ether;
benzyl alcohols		marine xenobiotic metabolite00low000000
du-21220
0
benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound		00low000000
ractopamine
0
benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound		00low000000
vanillyl alcohol
0
benzyl alcohols;
guaiacols		plant metabolite00low000000
4-nitrobenzyl alcohol
0
benzyl alcohols;
C-nitro compound		xenobiotic metabolite00low000000
mandelamide
0
benzyl alcohols;
monocarboxylic acid amide;
secondary alcohol		00low000000
4-(hydroxymethyl)benzenediazonium ion
0
benzyl alcohols00low000000
salicin
0
aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
agaritine
0
amino acid zwitterion;
benzyl alcohols;
carbohydrazide;
L-glutamic acid derivative;
non-proteinogenic L-alpha-amino acid		00low000000
vilanterol
0
benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent		00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
(2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid
0
benzyl alcohols00low000000
(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
0
benzyl alcohols00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
sirolimus
0
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		00low000000
everolimus
0
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		00low000000
pi103
0
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
dactolisib
0
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
bgt226
0
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
gsk 2126458
0
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		00low000000
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
0
benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor		00low000000
torin 1
0
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		00low000000
xl765
0
aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
torin 2
0
aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor		00low000000
oleuropein aglycone
0
catechols;
diester;
lactol;
methyl ester;
pyrans;
secoiridoid		anti-inflammatory agent;
antioxidant;
mTOR inhibitor;
neuroprotective agent;
plant metabolite;
TRPA1 channel agonist		00low000000
pp242
0
aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor		00low000000
protocatechuic acid
0
catechols;
dihydroxybenzoic acid		antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite		00low000000
aminolevulinic acid
0
4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		00low000000
gallic acid
0
trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite		00low000000
perillic acid
0
alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid		antineoplastic agent;
human metabolite;
mouse metabolite		00low000000
pk 11195
0
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent00low000000
pd 173074
0
aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
aminopropionitrile
0
aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite		00low000000
5-(n,n-hexamethylene)amiloride
0
aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker		00low000000
7,8-dihydroxyflavone
0
dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist		00low000000
ro 48-8071
0
aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor		00low000000
rtki cpd
0
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		00low000000
alfuzosin
0
monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		00low000000
am 251
0
amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist		00low000000
am 580
0
amidobenzoic acid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist		00low000000
aminoglutethimide
0
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
amsacrine
0
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
anastrozole
0
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
azathioprine
0
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		00low000000
azelaic acid
0
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		00low000000
berberine
0
alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker		00low000000
buformin
0
biguanidesantineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent		00low000000
busulfan
0
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		00low000000
camostat
0
benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor		00low000000
carmustine
0
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		00low000000
cgs 15943
0
aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline		adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant		00low000000
chelerythrine
0
benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		00low000000
chlorambucil
0
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		00low000000
ci 994
0
acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
ciglitazone
0
aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug		00low000000
cl 387785
0
bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
clioquinol
0
monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator		00low000000
clofibric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist		00low000000
dacarbazine
0
imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug		00low000000
dequalinium
0
quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
3,3'-diindolylmethane
0
indolesantineoplastic agent;
P450 inhibitor		00low000000
disulfiram
0
organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor		00low000000
doxazosin
0
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent		00low000000
ebselen
0
benzoselenazoleanti-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		00low000000
ellipticine
0
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		00low000000
embelin
0
dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite		00low000000
emodin
0
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		00low000000
etanidazole
0
C-nitro compound;
imidazoles;
monocarboxylic acid amide		alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent		00low000000
etidronate
0
1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator		00low000000
fluorouracil
0
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		00low000000
flutamide
0
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		00low000000
miltefosine
0
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		00low000000
beta-thujaplicin
0
cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite		00low000000
hydroxyurea
0
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		00low000000
ifosfamide
0
ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic		00low000000
indole-3-carbinol
0
indolyl alcoholantineoplastic agent;
plant metabolite		00low000000
beta-lapachone
0
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		00low000000
leflunomide
0
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor		00low000000
letrozole
0
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
lomustine
0
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		00low000000
6-anilino-5,8-quinolinedione
0
aminoquinoline;
aromatic amine;
p-quinones;
quinolone		antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor		00low000000
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide
0
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
meclofenamic acid
0
aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
vitamin k 3
0
1,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical		00low000000
methoxsalen
0
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		00low000000
nocodazole
0
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		00low000000
midazolam
0
imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative		00low000000
mitoxantrone
0
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		00low000000
entinostat
0
benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
n(1), n(12)-diethylspermine
0
polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine		antineoplastic agent00low000000
nilutamide
0
(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent		00low000000
nortriptyline
0
organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite		00low000000
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
0
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
oxyphenbutazone
0
phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite		00low000000
pd 158780
0
aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
4-phenylbutyric acid
0
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		00low000000
oxophenylarsine
0
arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor		00low000000
phloretin
0
dihydrochalconesantineoplastic agent;
plant metabolite		00low000000
pipobroman
0
N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent		00low000000
pj-34
0
phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent		00low000000
procarbazine
0
benzamides;
hydrazines		antineoplastic agent00low000000
salicylsalicylic acid
0
benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
semustine
0
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent		00low000000
imatinib
0
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		00low000000
streptonigrin
0
pyridines;
quinolone		antimicrobial agent;
antineoplastic agent		00low000000
SU6656
0
oxindoles;
sulfonamide		antineoplastic agent;
Aurora kinase inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
vorinostat
0
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
sulforaphane
0
isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite		00low000000
suramin
0
naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug		00low000000
temozolomide
0
imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug		00low000000
terazosin
0
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		00low000000
2,2'-thiodiethanol
0
aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent		00low000000
tilorone
0
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		00low000000
troglitazone
0
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
0
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
mitomycin
0
mitomycinalkylating agent;
antineoplastic agent		00low000000
prednisolone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic		00low000000
floxuridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		00low000000
prednisone
0
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug		00low000000
estrone
0
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		00low000000
azauridine
0
N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite		00low000000
mechlorethamine hydrochloride
0
hydrochlorideantineoplastic agent00low000000
allyl isothiocyanate
0
alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite		00low000000
vincristine
0
acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		00low000000
methyltestosterone
0
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent		00low000000
dromostanolone
0
17beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent		00low000000
bromodeoxyuridine
0
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		00low000000
tributyrin
0
butyrate ester;
triglyceride		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent		00low000000
ethyl methanesulfonate
0
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent		00low000000
triaziquone
0
1,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent		00low000000
tubercidin
0
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite		00low000000
cytarabine
0
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		00low000000
trifluridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		00low000000
medroxyprogesterone acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive		00low000000
fluoxymesterone
0
11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent		00low000000
rotenone
0
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		00low000000
acetopyrrothine
0
acetamides;
dithiolopyrrolone antibiotic		angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin		00low000000
phenformin
0
biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent		00low000000
dibenzoylmethane
0
aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite		00low000000
suramin sodium
0
organic 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		00low000000
pyrazolanthrone
0
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		00low000000
diazooxonorleucine
0
amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid		analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist		00low000000
azacitidine
0
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent00low000000
diazomethane
0
diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison		00low000000
procarbazine hydrochloride
0
hydrochlorideantineoplastic agent00low000000
naphthazarin
0
hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite		00low000000
liriodenine
0
alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
lucanthone
0
thioxanthenesadjuvant;
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		00low000000
plumbagin
0
hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite		00low000000
aloe emodin
0
aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite		00low000000
emetine
0
isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor		00low000000
thymoquinone
0
1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite		00low000000
podophyllotoxin
0
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		00low000000
physcione
0
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite		00low000000
dequalinium chloride
0
organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
0
terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component		00low000000
formestane
0
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
chlorotrianisene
0
chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen		00low000000
megestrol acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		00low000000
toyocamycin
0
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
2-hydroxyacetanilide
0
acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite		00low000000
methoxyacetic acid
0
ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen		00low000000
hadacidin
0
aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent		00low000000
2-fluoroadenine
0
organofluorine compound;
purines		antineoplastic agent00low000000
tetramethylpyrazine
0
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
guanazole
0
aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor		00low000000
diallyl trisulfide
0
organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent		00low000000
diallyl disulfide
0
organic disulfideantifungal agent;
antineoplastic agent;
plant metabolite		00low000000
phenethyl isothiocyanate
0
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite		00low000000
glaucine
0
aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite		00low000000
acadesine
0
1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor		00low000000
doxifluridine
0
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		00low000000
megestrol
0
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		00low000000
mitomycin a
0
ether;
mitomycin		alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin		00low000000
cladribine
0
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		00low000000
tabersonine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite		00low000000
vidarabine
0
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic		00low000000
cyclophosphamide
0
hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent		00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
etidronate disodium
0
organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator		00low000000
camptothecin
0
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		00low000000
isopentenyladenosine
0
N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite		00low000000
nsc-145,668
0
hydrochlorideantimetabolite;
antineoplastic agent		00low000000
ancitabine
0
diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug		00low000000
clodronic acid
0
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent		00low000000
tetradecanoylphorbol acetate
0
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator		00low000000
streptozocin
0
N-acylglucosamine;
N-nitrosoureas		antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite		00low000000
daunorubicin
0
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite		00low000000
fludarabine phosphate
0
nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug		00low000000
2,6-diaminopurine
0
2,6-diaminopurines;
primary amino compound		antineoplastic agent00low000000
silybin
0
aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite		00low000000
glucaric acid
0
glucaric acidantineoplastic agent00low000000
paclitaxel
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		00low000000
etoposide
0
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		00low000000
promegestone
0
20-oxo steroid;
3-oxo-Delta(4) steroid		antineoplastic agent;
progesterone receptor agonist;
progestin		00low000000
perfosfamide
0
nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide		alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite		00low000000
nimustine
0
aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		00low000000
lonidamine
0
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		00low000000
vindesine
0
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent00low000000
epirubicin
0
aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
diaziquone
0
1,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent		00low000000
midazolam hydrochloride
0
hydrochloride;
imidazobenzodiazepine		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative		00low000000
oltipraz
0
1,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug		00low000000
fazarabine
0
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent00low000000
mitoxantrone hydrochloride
0
hydrochlorideantineoplastic agent00low000000
bisantrene
0
anthracenes;
hydrazone;
imidazolidines		antineoplastic agent00low000000
swainsonine
0
indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite		00low000000
lovastatin
0
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		00low000000
cabergoline
0
N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist		00low000000
nitrogenase stabilizing-protective protein, bacteria
0
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamideandrogen antagonist;
antineoplastic agent		00low000000
bmy 25067
0
C-nitro compound;
organic disulfide		antineoplastic agent00low000000
brequinar
0
biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor		00low000000
imiquimod
0
imidazoquinolineantineoplastic agent;
interferon inducer		00low000000
aromasil
0
17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
cidofovir anhydrous
0
phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent		00low000000
topotecan
0
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
gemcitabine hydrochloride
0
hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent		00low000000
gemcitabine
0
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic		00low000000
irinotecan
0
carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
capecitabine
0
carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug		00low000000
nelfinavir mesylate
0
methanesulfonate saltantineoplastic agent;
HIV protease inhibitor		00low000000
nelfinavir
0
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		00low000000
betulinic acid
0
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite		00low000000
baicalin
0
dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug		00low000000
ro 5-3335
0
1,4-benzodiazepinone;
organochlorine compound;
pyrroles		anti-HIV-1 agent;
antineoplastic agent;
HIV-1 Tat inhibitor;
RUNX1 inhibitor		00low000000
plerixafor
0
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant		00low000000
epigallocatechin gallate
0
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		00low000000
salvin
0
abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite		00low000000
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
0
gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger		00low000000
pyrrolidine dithiocarbamate
0
dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger		00low000000
triptonide
0
butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound		anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent		00low000000
3'-deoxyadenosine 5'-triphosphate
0
purine ribonucleoside 5'-triphosphateantifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent		00low000000
2-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		00low000000
toxoflavin
0
carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor		00low000000
lupulon
0
beta-bitter acidangiogenesis inhibitor;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer		00low000000
pinocembrin
0
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		00low000000
tangeretin
0
pentamethoxyflavoneantineoplastic agent;
plant metabolite		00low000000
ethinylestradiol-3-sulfate
0
17beta-hydroxy steroid;
steroid sulfate		antineoplastic agent;
estrogen		00low000000
lonazolac
0
monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
bromopyruvate
0
2-oxo monocarboxylic acid;
organobromine compound;
oxo carboxylic acid		alkylating agent;
antineoplastic agent		00low000000
enrofloxacin
0
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		00low000000
dexrazoxane
0
razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent		00low000000
masoprocol
0
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		00low000000
dw a 2114r
0
platinum coordination entity;
pyrrolidines		antineoplastic agent00low000000
prednisolone phosphate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
glucocorticoid;
steroid phosphate;
tertiary alpha-hydroxy ketone		anti-inflammatory agent;
antineoplastic agent;
glucocorticoid receptor agonist;
prodrug		00low000000
hesperetin
0
3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite		00low000000
sesamin
0
benzodioxoles;
furofuran;
lignan		antineoplastic agent;
neuroprotective agent;
plant metabolite		00low000000
betulin
0
diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
nobiletin
0
methoxyflavoneantineoplastic agent;
plant metabolite		00low000000
picropodophyllin
0
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor		00low000000
alantolactone
0
naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
kaurenoic acid
0
ent-kaurane diterpenoidanti-HIV-1 agent;
antineoplastic agent;
plant metabolite		00low000000
dehydrocostus lactone
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		00low000000
xanthomicrol
0
dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite		00low000000
voacamine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite		00low000000
brazilin
0
catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite		00low000000
uvaretin
0
aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite		00low000000
fangchinoline
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		00low000000
maslinic acid
0
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
tetrazolium violet
0
organic chloride saltantineoplastic agent;
apoptosis inducer;
dye		00low000000
irinotecan hydrochloride
0
hydrochlorideantineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
5-(3-methyl-1-triazeno)imidazole-4-carboxamide
0
imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent		00low000000
hydroxyguanidine
0
guanidines;
one-carbon compound		antineoplastic agent;
antiviral agent		00low000000
cryptolepine
0
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite		00low000000
bexarotene
0
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent00low000000
3,4-dihydroxyphenylethanol
0
catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite		00low000000
terreic acid
0
arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin		00low000000
4-methylumbelliferyl glucuronide
0
beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative		antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor		00low000000
9-hydroxyellipticine
0
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		antineoplastic agent00low000000
nimustine
0
hydrochlorideantineoplastic agent00low000000
beta-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite		00low000000
alpha-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite		00low000000
cryptopleurine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor		00low000000
sugiol
0
abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger		00low000000
eupatorin
0
dihydroxyflavone;
polyphenol;
trimethoxyflavone		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent		00low000000
1-methyltryptophan
0
non-proteinogenic alpha-amino acid;
tryptophan derivative		antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor		00low000000
atromentin
0
dihydroxy-1,4-benzoquinones;
polyphenol		antibacterial agent;
anticoagulant;
antineoplastic agent;
apoptosis inducer;
biological pigment;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
fungal metabolite		00low000000
diosgenin
0
3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite		00low000000
alpha-glutamyltryptophan
0
dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite		00low000000
fulvestrant
0
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		00low000000
ici 164384
0
17beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist		00low000000
sn 38
0
delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
hc toxin
0
homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin		00low000000
deguelin
0
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		00low000000
fingolimod
0
aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		00low000000
cafestol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite		00low000000
tamibarotene
0
dicarboxylic acid monoamide;
retinoid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist		00low000000
ecteinascidin 743
0
acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite		00low000000
homoorientin
0
flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger		00low000000
kahweol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
selenomethylselenocysteine
0
non-proteinogenic alpha-amino acid;
selenocysteines		antineoplastic agent;
human metabolite		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
5-(tetradecyloxy)-2-furancarboxylic acid
0
aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist		00low000000
sc 58125
0
organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
marimastat
0
hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor		00low000000
1'-acetoxychavicol acetate
0
acetate ester;
phenylpropanoid		antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite		00low000000
clofarabine
0
adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent		00low000000
dioscin
0
hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
ginsenoside rh2
0
12beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite		00low000000
trapoxin a
0
epoxide;
homodetic cyclic peptide;
ketone		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite		00low000000
celastrol
0
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		00low000000
4'-demethylepipodophyllotoxin
0
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent00low000000
imatinib mesylate
0
methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		00low000000
aminolevulinic acid hydrochloride
0
hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
cgp 42112a
0
benzyl ester;
oligopeptide;
pyridinecarboxamide		angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent		00low000000
vadimezan
0
monocarboxylic acid;
xanthones		antineoplastic agent00low000000
rubimaillin
0
benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite		00low000000
4-carbamoylimidazolium 5-olate
0
hydroxyimidazole;
monocarboxylic acid amide		antineoplastic agent00low000000
nsc 224070
0
1,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound		alkylating agent;
antineoplastic agent		00low000000
psorospermin
0
epoxide;
organic heterotetracyclic compound;
xanthones		antineoplastic agent;
plant metabolite		00low000000
ay 25545
0
acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
methotrexate
0
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		00low000000
3,7-dihydroxytropolone
0
alpha-hydroxy ketone;
cyclic ketone;
enol;
triol		antineoplastic agent;
bacterial metabolite		00low000000
delphinidin
0
5-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite		00low000000
tamsulosin
0
5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent		00low000000
saintopin
0
tetracenequinonesantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
fungal metabolite;
intercalator		00low000000
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene
0
monoterpenoid;
organobromine compound;
organochlorine compound		algal metabolite;
antineoplastic agent;
marine metabolite		00low000000
ilomastat
0
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent		00low000000
abiraterone
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor		00low000000
yakuchinone-a
0
ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
pomalidomide
0
aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator		00low000000
tempol
0
aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger		00low000000
selenomethylselenocysteine
0
amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine		antineoplastic agent00low000000
10-propargyl-10-deazaaminopterin
0
N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		00low000000
docetaxel
0
hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent00low000000
docetaxel anhydrous
0
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		00low000000
lonafarnib
0
4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
6-azauridine-5'-monophosphate
0
N-glycosyl-1,2,4-triazine;
nucleoside monophosphate analogue		antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor		00low000000
ptk 787
0
succinate saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
vatalanib
0
monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
cyc 682
0
nitrile;
nucleoside analogue;
secondary carboxamide		antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug		00low000000
canertinib
0
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
methyl 5-aminolevulinate hydrochloride
0
hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		00low000000
methyl 5-aminolevulinate
0
delta-amino acid esterantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		00low000000
tipifarnib
0
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
aklavinone
0
anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent00low000000
actinodaphine
0
aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor		00low000000
i-677
0
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
anonaine
0
aporphine alkaloid;
organic heteropentacyclic compound;
oxacycle		antineoplastic agent;
antiplasmodial drug;
trypanocidal drug		00low000000
4'-demethyldesoxypodophyllotoxin
0
furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite		00low000000
salvigenin
0
monohydroxyflavone;
trimethoxyflavone		antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite		00low000000
deferrioxamine e
0
cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle		antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore		00low000000
ampelopsin
0
dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite		00low000000
methylselenic acid
0
one-carbon compound;
organoselenium compound		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite		00low000000
acetyl aleuritolic acid
0
acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite		00low000000
withanolide d
0
20-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent00low000000
myricanone
0
aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite		00low000000
cirsilineol
0
dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite		00low000000
pannarin
0
aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite		00low000000
6-methylthiohexyl isothiocyanate
0
isothiocyanate;
methyl sulfide		antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent		00low000000
pectolinarin
0
dimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite		00low000000
albicanol
0
carbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid		antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite		00low000000
5-o-methylembelin
0
enol ether;
monohydroxy-1,4-benzoquinones		antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite		00low000000
asperphenamate
0
benzamides;
carboxylic ester;
L-phenylalanine derivative		antineoplastic agent00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
erlotinib hydrochloride
0
hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor		00low000000
corynoline
0
benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
helioxanthin
0
benzodioxoles;
furonaphthodioxole;
lignan		anti-HBV agent;
antineoplastic agent;
plant metabolite		00low000000
top 53
0
furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
5-heptadecylresorcinol
0
5-alkylresorcinolantineoplastic agent;
plant metabolite		00low000000
minquartynoic acid
0
acetylenic fatty acid;
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
tetrayne		antimalarial;
antineoplastic agent;
antiviral agent		00low000000
scutellarin
0
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor		00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
2,5-dihydroxybenzyl alcohol
0
aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite		00low000000
chrysosplenol c
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
antiviral agent;
plant metabolite		00low000000
lanperisone
0
2-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		00low000000
(-)-gallocatechin gallate
0
catechin;
gallate ester;
polyphenol		antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite		00low000000
orantinib
0
monocarboxylic acid;
oxindoles;
pyrroles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
lapatinib
0
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
firocoxib
0
butenolide;
cyclopropanes;
enol ether;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
2-(4-morpholinoanilino)-6-cyclohexylaminopurine
0
morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent		00low000000
sorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor		00low000000
lenalidomide
0
aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator		00low000000
lasofoxifene
0
aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist		00low000000
l 778,123
0
hydrochlorideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor;
radiosensitizing agent		00low000000
l 778,123
0
imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor		00low000000
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide
0
chloroindole;
organochlorine compound;
sulfonamide		antineoplastic agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
diflomotecan
0
epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
demecolcine
0
alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent		00low000000
dromostanolone propionate
0
3-oxo-5alpha-steroid;
steroid ester		antineoplastic agent00low000000
vincaleukoblastine
0
acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite		00low000000
vincristine sulfate
0
organic sulfate saltantineoplastic agent;
geroprotector		00low000000
anisomycin
0
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor		00low000000
estramustine
0
17beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent		00low000000
withaferin a
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		antineoplastic agent;
apoptosis inducer		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
homoharringtonine
0
alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor		00low000000
acivicin
0
isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite		00low000000
elesclomol
0
carbohydrazide;
thiocarbonyl compound		antineoplastic agent;
apoptosis inducer		00low000000
wortmannin
0
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
anthricin
0
furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
acronine
0
acridone derivatives;
alkaloid		antineoplastic agent;
metabolite		00low000000
taiwanin c
0
benzodioxoles;
furonaphthodioxole;
lignan		antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor		00low000000
o-(chloroacetylcarbamoyl)fumagillol
0
carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide		angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist		00low000000
bortezomib
0
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		00low000000
gant 61
0
aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor		00low000000
carnosine
0
amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent		00low000000
puromycin
0
puromycinsantiinfective 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		00low000000
pentostatin
0
coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor		00low000000
canaline
0
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite		00low000000
hippeastrine
0
delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
peonidin
0
5-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite		00low000000
glaucarubinone
0
carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol		antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite		00low000000
helveticoside
0
14beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
ginsenoside re
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite		00low000000
ginsenoside rf
0
12beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
ferruginol
0
abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent		00low000000
stevioside
0
beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent		00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
naringin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
eugeniin
0
beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
knipholone
0
aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite		00low000000
gingerol
0
beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite		00low000000
mucronulatol
0
hydroxyisoflavans;
methoxyisoflavan		antineoplastic agent;
plant metabolite		00low000000
syringaresinol
0
syringaresinolantineoplastic agent00low000000
enkephalin, methionine
0
pentapeptide;
peptide zwitterion		analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist		00low000000
devazepide
0
1,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug		00low000000
sodium arsenite
0
arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide		00low000000
surfactin c
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant		00low000000
kerriamycin b
0
angucycline antibioticantineoplastic agent00low000000
carubicin
0
aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones		antineoplastic agent;
apoptosis inducer		00low000000
tretinoin
0
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		00low000000
docosahexaenoate
0
docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical		00low000000
eicosapentaenoic acid
0
icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical		00low000000
mycophenolic acid
0
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		00low000000
formycin
0
formycinantineoplastic agent00low000000
neocarzinostatin chromophore
0
cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester		antineoplastic agent00low000000
epothilone b
0
epothilone;
epoxide		antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent		00low000000
adenosine-5'-(n-ethylcarboxamide)
0
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		00low000000
n(1)-guanyl-1,7-diaminoheptane
0
guanidines;
primary amino compound		antineoplastic agent;
EC 2.5.1.46 (deoxyhypusine synthase) inhibitor		00low000000
diethylstilbestrol
0
olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen		00low000000
bms 214662
0
benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
epothilone a
0
epothilone;
epoxide		antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator		00low000000
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine
0
6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound		antineoplastic agent;
Hsp90 inhibitor		00low000000
alitretinoin
0
retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist		00low000000
afimoxifene
0
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		00low000000
aclarubicin
0
aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
teniposide
0
aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
steviol
0
bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent00low000000
tiazofurin
0
1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug		00low000000
aphidicolin
0
tetracyclic 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		00low000000
azaserine
0
carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite		00low000000
melphalan
0
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		00low000000
prinomastat
0
aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor		00low000000
rubitecan
0
C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
arsenic trioxide
0
arsenic oxideantineoplastic agent;
insecticide		00low000000
rhapontin
0
rhaponticinangiogenesis 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		00low000000
isoliquiritigenin
0
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		00low000000
antofine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite		00low000000
xanthohumol
0
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		00low000000
vedelianin
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
plant metabolite		00low000000
s 1033
0
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		00low000000
amygdalin
0
amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
trilostane
0
17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor		00low000000
leuprolide acetate
0
acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist		00low000000
leuprolide
0
oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist		00low000000
mercaptopurine
0
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		00low000000
3,3',4,5'-tetrahydroxystilbene
0
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		00low000000
iFSP1
0
aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes		antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor		00low000000
4-iodo-6-phenylpyrimidine
0
biaryl;
organoiodine compound;
pyrimidines		antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor		00low000000
oncrasin-1
0
arenecarbaldehyde;
indoles;
monochlorobenzenes		antineoplastic agent;
apoptosis inducer		00low000000
curcumin
0
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		00low000000
cct018159
0
benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		00low000000
sulindac
0
monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent		00low000000
aurapten
0
coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary		00low000000
xl147
0
aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
mcb-613
0
cyclic ketone;
enone;
pyridines		antineoplastic agent;
steroid receptor coactivator stimulator		00low000000
thioguanine anhydrous
0
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		00low000000
tamoxifen
0
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		00low000000
stattic
0
1-benzothiophenes;
C-nitro compound;
sulfone		antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor		00low000000
krn 7000
0
glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine		allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant		00low000000
10058-F4
0
olefinic compound;
thiazolidinone		antineoplastic agent;
apoptosis inducer		00low000000
monastrol
0
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		00low000000
toremifene
0
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		00low000000
u 0126
0
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		00low000000
beauvericin
0
cyclodepsipeptideantibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor		00low000000
nelarabine
0
beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug		00low000000
bms 387032
0
1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
manool
0
labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite		00low000000
amrubicin
0
anthracycline antibiotic;
methyl ketone;
primary amino compound;
quinone;
tetracenes		antineoplastic agent;
prodrug;
topoisomerase II inhibitor		00low000000
ospemifene
0
aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator		00low000000
tandutinib
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
dasatinib
0
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		00low000000
emetine dihydrochloride
0
hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor		00low000000
bigelovin
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite		00low000000
zd 6474
0
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
l 663536
0
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		00low000000
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
0
benzenes;
thiadiazolidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
sc 560
0
aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
alsterpaullone
0
C-nitro compound;
caprolactams;
organic heterotetracyclic compound		anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor		00low000000
ginkgetin
0
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite		00low000000
eupatilin
0
dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite		00low000000
quercetin
0
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		00low000000
biochanin a
0
4'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		00low000000
vitexin
0
C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		00low000000
apigenin
0
trihydroxyflavoneantineoplastic agent;
metabolite		00low000000
luteolin
0
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		00low000000
calcitriol
0
D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical		00low000000
herbacetin
0
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
plant metabolite		00low000000
hymecromone
0
hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor		00low000000
chrysoeriol
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite		00low000000
dexmedetomidine
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
metabolite		00low000000
bryostatin 1
0
acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist		00low000000
quercetin 3-o-glucopyranoside
0
beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite		00low000000
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2
0
prostaglandins J;
secondary alcohol		antineoplastic agent;
antiviral agent		00low000000
genistein
0
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		00low000000
pyrvinium
0
quinolinium ionanthelminthic drug;
antineoplastic agent		00low000000
cyclobenzaprine
0
9,11,13-octadecatrienoic acidantineoplastic agent;
plant metabolite		00low000000
butein
0
chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor		00low000000
cucurbitacin i
0
cucurbitacin;
tertiary alpha-hydroxy ketone		antineoplastic agent;
plant metabolite		00low000000
daphnoretin
0
aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite		00low000000
costunolide
0
germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite		00low000000
eupatolide
0
gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol		antineoplastic agent;
plant metabolite		00low000000
oleuropein
0
beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside		anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger		00low000000
agathisflavone
0
biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite		00low000000
baicalein
0
trihydroxyflavoneangiogenesis 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		00low000000
chrysin
0
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		00low000000
diosmetin
0
3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
hispidulin
0
monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
gartanin
0
polyphenol;
xanthones		antineoplastic agent;
plant metabolite		00low000000
mangostin
0
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
norathyriol
0
polyphenol;
xanthones		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite		00low000000
morin
0
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent		00low000000
morusin
0
extended flavonoid;
trihydroxyflavone		antineoplastic agent;
plant metabolite		00low000000
myricetin
0
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		00low000000
robustaflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite		00low000000
tricetin
0
pentahydroxyflavoneantineoplastic agent;
metabolite		00low000000
wogonin
0
dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite		00low000000
daidzein
0
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		00low000000
astringin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite		00low000000
pterostilbene
0
diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger		00low000000
irilone
0
hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite		00low000000
caffeic acid phenethyl ester
0
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		00low000000
wedelolactone
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		00low000000
maytansine
0
alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator		00low000000
rottlerin
0
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		00low000000
tectochrysin
0
monohydroxyflavone;
monomethoxyflavone		antidiarrhoeal drug;
antineoplastic agent;
plant metabolite		00low000000
plaunotol
0
diterpenoid;
primary alcohol		anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary		00low000000
tranilast
0
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent		00low000000
tocotrienol, beta
0
tocotrienol;
vitamin E		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
gamma-tocotrienol
0
tocotrienol;
vitamin E		antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent		00low000000
tocotrienol, delta
0
tocotrienol;
vitamin E		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite		00low000000
4'-hydroxychalcone
0
chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent		00low000000
isotretinoin
0
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		00low000000
9,11-linoleic acid
0
octadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite		00low000000
camostat mesylate
0
methanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor		00low000000
3',4',7-trihydroxyisoflavone
0
7-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		00low000000
alvocidib
0
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
fenretinide
0
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		00low000000
geldanamycin
0
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor		00low000000
4-oxoretinol
0
cyclic ketone;
enone;
primary allylic alcohol;
retinoid		antineoplastic agent00low000000
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
0
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent		00low000000
vinorelbine
0
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent		00low000000
centaureidin
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite		00low000000
3,3'-di-o-methylquercetin
0
3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
ethyl caffeate
0
alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
andrographolide
0
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		00low000000
isoginkgetin
0
aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite		00low000000
cudraflavone c
0
tetrahydroxyflavoneantibacterial agent;
antineoplastic agent;
plant metabolite		00low000000
neobavaisoflavone
0
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		00low000000
neoglycyrol
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite		00low000000
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
0
dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor		00low000000
spiraeoside
0
beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
plant metabolite		00low000000
rhamnazin
0
aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite		00low000000
oridonin
0
cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
pd 166866
0
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
bosutinib
0
aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
semaxinib
0
olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
su 11248
0
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		00low000000
palbociclib
0
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
mitoguazone
0
guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor		00low000000
reumycin
0
carbonyl compound;
pyrimidotriazine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
ergosterol-5,8-peroxide
0
3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug		00low000000
ermanin
0
dihydroxyflavone;
dimethoxyflavone		anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
romidepsin
0
cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
sulindac sulfide
0
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		00low000000
bay 11-7085
0
benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor		00low000000
macluraxanthone b
0
phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite		00low000000
flavokawain b
0
chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
tamsulosin hydrochloride
0
hydrochloridealpha-adrenergic antagonist;
antineoplastic agent		00low000000
batimastat
0
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor		00low000000
glyceryl behenate
0
1-monoglyceride;
fatty acid ester		antineoplastic agent;
plant metabolite		00low000000
jaceosidin
0
dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
5,7,3'-trihydroxy-3,4'-dimethoxyflavone
0
dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
pederin
0
cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide		antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant		00low000000
artocarpin lectin
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
cisplatin
0
diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent		00low000000
bleomycin
0
bleomycinantineoplastic agent;
metabolite		00low000000
beta-aminopropionitrile fumarate (2:1)
0
fumarate saltantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite		00low000000
gamma-mangostin
0
phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor		00low000000
demethoxycurcumin
0
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
cystothiazole a
0
1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic		antifungal agent;
antineoplastic agent;
bacterial metabolite		00low000000
lespenefril
0
alpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite		00low000000
baohuoside i
0
glycosyloxyflavoneanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
arglabin
0
epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite		00low000000
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one
0
enone;
pyridines		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor		00low000000
ma-1
0
carboxamidine;
organochlorine compound;
pyrimidone;
pyrrolidines		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor		00low000000
apratoxin a
0
1,3-thiazoles;
apratoxin		antineoplastic agent;
metabolite		00low000000
coronardine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
ascofuranone
0
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
columbianadin
0
alpha,beta-unsaturated carboxylic ester;
furanocoumarin		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite		00low000000
germacrone
0
germacrane sesquiterpenoid;
olefinic compound		androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component		00low000000
rhizoxin
0
1,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
metabolite		00low000000
sibiromycin
0
aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite		00low000000
bryostatin 2
0
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		antineoplastic agent;
marine metabolite;
protein kinase C agonist		00low000000
manumycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite		00low000000
thermozymocidin
0
alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent		00low000000
asukamycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
13(S)-HODE
0
HODEantineoplastic agent;
human xenobiotic metabolite;
mouse metabolite		00low000000
ixabepilone
0
1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent		00low000000
axitinib
0
aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
salvianolic acid B
0
1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite		00low000000
l 744832
0
benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector		00low000000
sophoraflavanone a
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
tanespimycin
0
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		00low000000
manzamine a
0
alkaloid;
beta-carbolines;
isoquinolines		animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite		00low000000
aureothin
0
4-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor		00low000000
fostriecin
0
2-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor		00low000000
artesunate
0
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		00low000000
ru 58668
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist		00low000000
soblidotin
0
tetrapeptideantineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent		00low000000
beta-elemene
0
beta-elemeneantineoplastic agent00low000000
laulimalide
0
carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent		00low000000
jwh-133
0
benzochromene;
dibenzopyran;
organic heterotricyclic compound		analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent		00low000000
belinostat
0
hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
on 01910
0
N-[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		00low000000
panobinostat
0
cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound		angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
bml 210
0
dicarboxylic acid diamideantineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
bufalin
0
14beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug		00low000000
alpha-solanine
0
glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite		00low000000
rhosin
0
D-tryptophan derivative;
hydrazone;
quinoxaline derivative		antineoplastic agent;
RhoA inhibitor;
RhoC inhibitor		00low000000
s-allylcysteine
0
L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine		antineoplastic agent;
metabolite		00low000000
2-hydroxy-9-cis-octadecenoic acid
0
2-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid		antihypertensive agent;
antineoplastic agent;
apoptosis inducer		00low000000
dolastatin 10
0
1,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent		00low000000
plitidepsin
0
didemninanticoronaviral agent;
antineoplastic agent;
marine metabolite		00low000000
abiraterone acetate
0
pyridines;
sterol ester		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug		00low000000
lenvatinib
0
aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist		00low000000
nsc 716970
0
aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent00low000000
pd 0325901
0
difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor		00low000000
midostaurin
0
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		00low000000
jasplakinolide
0
cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent		00low000000
muromonab-cd3
0
alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite		00low000000
ginsenoside m1
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite		00low000000
cabazitaxel
0
tetracyclic diterpenoidantineoplastic agent;
microtubule-stabilising agent		00low000000
elisidepsin
0
cyclodepsipeptideantineoplastic agent00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
mocetinostat
0
aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent		00low000000
tln 4601
0
dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol		antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor		00low000000
scio-469
0
aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
tmc-95a
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor		00low000000
cp 724714
0
2-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		00low000000
9-methoxycanthin-6-one
0
aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite		00low000000
topopyrone c
0
naphthochromene;
p-quinones;
phenols		antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite		00low000000
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride
0
hydrochloride;
iminium salt		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor		00low000000
fty 720p
0
monoalkyl phosphate;
primary alcohol;
primary amino compound		antineoplastic agent;
immunosuppressive agent;
sphingosine-1-phosphate receptor agonist		00low000000
hmr 1275
0
hydrochlorideantineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
zm 447439
0
aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor		00low000000
hki 272
0
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
ginsenoside f2
0
12beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
ginsenoside rg3
0
ginsenoside;
glycoside;
tetracyclic triterpenoid		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
es-285
0
amino alcohol;
sphingoid		antineoplastic agent00low000000
nidulalin a
0
methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite		00low000000
hypothemycin
0
aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite		00low000000
rucaparib
0
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
jte 607
0
hydrochlorideanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug		00low000000
pasireotide
0
homodetic cyclic peptide;
peptide hormone		antineoplastic agent00low000000
npi 2358
0
2,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent		00low000000
rubraxanthone
0
aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
NNC 55-0396 (free base)
0
benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
sr 11302
0
alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes		antineoplastic agent;
AP-1 antagonist		00low000000
sch 51344
0
aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent00low000000
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid
0
11-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		00low000000
osu 03012
0
antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
ly2090314
0
diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator		00low000000
cerberin
0
acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite		00low000000
pateamine a
0
1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound		antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite		00low000000
6-hydroxytaxol
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent00low000000
masitinib
0
1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor		00low000000
avenanthramide b
0
amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin		00low000000
ageladine a
0
alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite		00low000000
ly-2157299
0
aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines		antineoplastic agent;
TGFbeta receptor antagonist		00low000000
pazopanib
0
aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
azd 6244
0
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
azd2858
0
aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide		antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator		00low000000
bibw 2992
0
aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
bl1521
0
enamide;
hydroxamic acid;
monocarboxylic acid amide		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
jte 013
0
chloropyridine;
pyrazolopyridine		anti-asthmatic agent;
anti-inflammatory agent;
antineoplastic agent;
osteogenesis regulator;
pro-angiogenic agent;
sphingosine-1-phosphate receptor 2 antagonist		00low000000
holomycin
0
acetamides;
dithiolopyrrolone antibiotic		antibacterial agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite		00low000000
binimetinib
0
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
aee 788
0
6-{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		00low000000
saracatinib
0
aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent		00low000000
crenolanib
0
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
trilobacin
0
butenolide;
polyketide;
triol		antineoplastic agent;
plant metabolite		00low000000
manassantin b
0
benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
pha 665752
0
dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
PB28
0
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		00low000000
tmc-95b
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor		00low000000
fr 901464
0
acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
vinflunine
0
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent00low000000
homocamptothecin
0
epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
jaspamide b
0
cyclodepsipeptide;
organobromine compound		animal metabolite;
antineoplastic agent;
marine metabolite		00low000000
ossamycin
0
cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite		00low000000
nigranoic acid
0
dicarboxylic acid;
tetracyclic triterpenoid		antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite		00low000000
esculeoside a
0
azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin		antineoplastic agent;
metabolite		00low000000
azadirone
0
acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		antineoplastic agent;
antiplasmodial drug;
plant metabolite		00low000000
iejimalide b
0
ether;
formamides;
macrolide		antineoplastic agent;
marine metabolite		00low000000
migrastatin
0
ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
cembra-2,7,11-triene-4,6-diol
0
cembrane diterpenoidantineoplastic agent00low000000
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one
0
polyphenol;
xanthones		anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite		00low000000
regorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		00low000000
at 7867
0
monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
ym 155
0
organic bromide saltantineoplastic agent;
apoptosis inducer;
survivin suppressant		00low000000
bielschowskysin
0
acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite		00low000000
erastin
0
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor		00low000000
abt-737
0
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
brivanib
0
aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
rx-3117
0
organofluorine compound;
primary allylic alcohol;
triol		antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug		00low000000
ascochlorin
0
cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
spiculoic acid a
0
carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes		antineoplastic agent;
metabolite		00low000000
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide
0
D-valine derivative;
hydroxamic acid		antineoplastic agent;
autophagy inducer;
EC 3.4.24.24 (gelatinase A) inhibitor;
melanin synthesis inhibitor		00low000000
at 7519
0
dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
ym 216391
0
1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide		antineoplastic agent;
bacterial metabolite		00low000000
marizomib
0
beta-lactone;
gamma-lactam;
organic heterobicyclic compound;
organochlorine compound;
salinosporamide		antineoplastic agent;
proteasome inhibitor		00low000000
er-086526
0
cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound		antineoplastic agent;
microtubule-destabilising agent		00low000000
obolactone
0
2-pyranones;
4-pyranones		antineoplastic agent;
plant metabolite		00low000000
episilvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
abt 869
0
aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
azd 1152
0
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
ki11502
0
aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
carfilzomib
0
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		00low000000
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
0
aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
idelalisib
0
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
crizotinib
0
3-[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		00low000000
zstk474
0
benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
trametinib
0
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		00low000000
lyoniresinol
0
dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		antineoplastic agent;
metabolite		00low000000
GDC-0879
0
indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines		antineoplastic agent;
B-Raf inhibitor		00low000000
physalin b
0
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimicrobial agent;
antineoplastic agent		00low000000
amrubicinol
0
diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes		antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor		00low000000
silvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
at 13387
0
benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide		antineoplastic agent;
Hsp90 inhibitor		00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
2'-methoxykurarinone
0
4'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone		antineoplastic agent;
metabolite		00low000000
gedunin
0
acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid		antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite		00low000000
monascin
0
alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide		antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist		00low000000
monascorubrin
0
azaphilone;
enone;
gamma-lactone;
polyketide;
triketone		anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor		00low000000
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one
0
alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite		00low000000
SYC-435
0
benzenes;
cyclic hydroxamic acid;
pyridone		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
ligstroside
0
beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite		00low000000
mogrol
0
hydroxy seco-steroid;
tetracyclic triterpenoid		antineoplastic agent00low000000
simalikalactone D
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
4-methyl-5-pentylbenzene-1,3-diol
0
resorcinolsantineoplastic agent00low000000
mdv 3100
0
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		00low000000
azd 1152-hqpa
0
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		00low000000
adonixanthin
0
carotenone;
cyclic ketone;
secondary alcohol		algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite		00low000000
schweinfurthin g
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite		00low000000
abarelix
0
polypeptideantineoplastic agent;
hormone antagonist		00low000000
forapin
0
peptidyl amide;
polypeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.13 (protein kinase C) inhibitor;
hepatoprotective agent;
neuroprotective agent;
venom		00low000000
gastrin 17
0
gastrinantineoplastic agent00low000000
gdc-0973
0
aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
buparlisib
0
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
tubocapsanolide a
0
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide		antineoplastic agent;
NF-kappaB inhibitor		00low000000
ro5126766
0
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
pevonedistat
0
cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer		00low000000
tg101209
0
N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
gsk690693
0
1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
cnf 2024
0
2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor		00low000000
respirantin
0
benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
sm 164
0
benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent		00low000000
berkeleydione
0
beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite		00low000000
lucidenic acid n
0
cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
nnc 55-0396
0
hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
meclofenamate sodium anhydrous
0
hydrateanalgesic;
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		00low000000
brequinar sodium
0
organic sodium saltanticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor		00low000000
borrelidin
0
aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
olaparib
0
cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
plx 4720
0
aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		00low000000
lcl161
0
1,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine		antineoplastic agent;
apoptosis inducer		00low000000
aspergillide b
0
bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite		00low000000
tenovin-6
0
monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor		00low000000
lde225
0
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
gdc 0449
0
benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent		00low000000
bms 754807
0
pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
marinopyrrole a
0
aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
delanzomib
0
C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor		00low000000
grassypeptolide
0
cyclodepsipeptide;
macrocycle		antineoplastic agent;
metabolite		00low000000
pci 32765
0
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
ponatinib
0
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
spiruchostatin b
0
macrocyclic lactone;
organic disulfide;
organic heterobicyclic compound;
spiruchostatin		antineoplastic agent;
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
AMG-208
0
aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
sch772984
0
biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
papuamide b
0
cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol		anti-HIV-1 agent;
antineoplastic agent;
marine metabolite		00low000000
antroquinonol d
0
enol ether;
enone;
secondary alcohol		antineoplastic agent;
fungal metabolite		00low000000
quizartinib
0
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		00low000000
6-methoxyspirotryprostatin b
0
aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite		00low000000
PP121
0
aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor		00low000000
niraparib
0
benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
niraparib
0
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent		00low000000
navitoclax
0
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
lucitanib
0
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist		00low000000
chondramide c
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
0
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
cetrorelix
0
oligopeptideantineoplastic agent;
GnRH antagonist		00low000000
histrelin
0
oligopeptideantineoplastic agent;
gonadotropin releasing hormone agonist		00low000000
cabozantinib
0
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
salvileucalin b
0
bridged compound;
diterpenoid;
furans;
gamma-lactone		antineoplastic agent;
metabolite		00low000000
incb-018424
0
nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
asp3026
0
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor		00low000000
entrectinib
0
benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pexidartinib
0
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
TAK-580
0
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor		00low000000
glasdegib
0
benzimidazoles;
nitrile;
phenylureas;
piperidines		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
ixazomib
0
benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor		00low000000
cx 5461
0
diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor		00low000000
plx4032
0
aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		00low000000
GDC-0623
0
hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor		00low000000
INDY
0
benzothiazoles;
enone;
organic hydroxy compound		antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor		00low000000
7,8-dihydroxyflavanone
0
dihydroxyflavanoneantineoplastic agent;
metabolite		00low000000
dabrafenib
0
1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor		00low000000
cblc137
0
aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator		00low000000
2,3-dihydro-3beta-O-sulfate withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
steroid sulfate;
withanolide		antineoplastic agent;
metabolite;
plant metabolite		00low000000
leachianone a
0
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antimalarial;
antineoplastic agent;
metabolite		00low000000
thiopental sodium
0
organochlorine compound;
piperazines;
pyrimidines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
EG00229
0
benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes		angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist		00low000000
jadomycin b
0
glycoside;
jadomycin;
organic heteropentacyclic compound		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor;
bacterial metabolite		00low000000
tak-632
0
(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor		00low000000
chondramide a
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
englerin a
0
cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite		00low000000
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
jq1 compound
0
carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer		00low000000
ML-210
0
C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide		antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug		00low000000
eurycomanone
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite		00low000000
gilteritinib
0
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
alectinib
0
aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
ML240
0
aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent00low000000
abt-199
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
pracinostat
0
benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
physalin f
0
enone;
epoxy steroid;
lactone;
physalin		antileishmanial agent;
antimalarial;
antineoplastic agent;
apoptosis inducer;
immunosuppressive agent		00low000000
DMH1
0
aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor		00low000000
oligomycin a
0
antibiotic antifungal agent;
diketone;
oligomycin;
pentol		antineoplastic agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
nematicide		00low000000
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea
0
aminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas		antineoplastic agent;
fibroblast growth factor receptor antagonist		00low000000
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite		00low000000
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist		00low000000
chir 98014
0
aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator		00low000000
gsk2656157
0
biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor		00low000000
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide
0
acetamides;
hydroxyindoles;
tryptamines		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
coumermycin
0
aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor		00low000000
lfm a13
0
aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor		00low000000
AZD3463
0
aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
calicheamicin gamma(1)i
0
calicheamicin;
enediyne antibiotic;
organoiodine compound		antineoplastic agent;
metabolite		00low000000
asperfuranone
0
2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite		00low000000
ceritinib
0
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pelabresib
0
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		00low000000
MK-8353
0
aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
gsk2879552
0
benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor		00low000000
ssr128129e
0
organic sodium saltantineoplastic agent;
fibroblast growth factor receptor antagonist		00low000000
aspergillide a
0
bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite		00low000000
capilliposide b
0
alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin		antineoplastic agent;
plant metabolite		00low000000
brasilicardin a
0
benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent		00low000000
surfactin A
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant		00low000000
acp-196
0
aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
gsk343
0
aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor		00low000000
myriaporone 3
0
beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
GSK1059615
0
pyridines;
quinolines;
thiazolidinone		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
osimertinib
0
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
ivosidenib
0
cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
phleomycin d1
0
bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
ly3009120
0
aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor		00low000000
pf-06463922
0
aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
as 1842856
0
organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent		00low000000
physalin d
0
5alpha-hydroxy steroid;
6beta-hydroxy steroid;
cyclic ether;
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimycobacterial drug;
antineoplastic agent		00low000000
acarbose
0
chondramide;
indoles;
organochlorine compound;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
sr9243
0
bromobenzenes;
sulfonamide;
sulfone		antineoplastic agent;
apoptosis inducer;
liver X receptor inverse agonist		00low000000
CCT251545
0
azaspiro compound;
chloropyridine;
pyrazoles		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor		00low000000
ldc4297
0
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
hg-9-91-01
0
aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound		antineoplastic agent;
salt-inducible kinase 2 inhibitor		00low000000
cigb-300
0
heterodetic cyclic peptide;
polypeptide		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
chondramide d
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
bassianolide
0
cyclodepsipeptide;
cyclooctadepsipeptide		antineoplastic agent;
fungal metabolite;
insecticide		00low000000
enasidenib
0
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
BDA-366
0
anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer		00low000000
ebc-46
0
diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester		antineoplastic agent;
plant metabolite;
protein kinase C agonist		00low000000
THZ531
0
aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
can 508
0
aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
levoleucovorin
0
5-formyltetrahydrofolic acidantineoplastic agent;
metabolite		00low000000
rifampin
0
cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor		00low000000
azaguanine
0
nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor		00low000000
pemetrexed
0
N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor		00low000000
tirapazamine
0
aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer		00low000000
pyrazofurin
0
C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor		00low000000
MMP-9-IN-1
0
aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor		00low000000
hydrazinocurcumin
0
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
9-arabinofuranosylguanine
0
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor		00low000000
cerulomycin
0
aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
undecylprodigiosin
0
alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent		00low000000
ver 52296
0
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		00low000000
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile
0
hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor		00low000000
XL413
0
benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
marineosin a
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
marineosin b
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
ARS-1620
0
quinazolinesantineoplastic agent;
antiviral agent;
inhibitor		00low000000
sotorasib
0
acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
pi103
0
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
0
benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor		00low000000
pd 173074
0
aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
ro 48-8071
0
aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor		00low000000
chlorambucil
0
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		00low000000
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide
0
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
pd 158780
0
aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pj-34
0
phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent		00low000000
tilorone
0
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		00low000000
vincristine
0
acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		00low000000
glaucine
0
aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite		00low000000
vindesine
0
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent00low000000
irinotecan
0
carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
nelfinavir
0
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		00low000000
plerixafor
0
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant		00low000000
voacamine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite		00low000000
ecteinascidin 743
0
acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
yakuchinone-a
0
ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
canertinib
0
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
top 53
0
furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
2-(4-morpholinoanilino)-6-cyclohexylaminopurine
0
morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent		00low000000
l 778,123
0
imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor		00low000000
vincaleukoblastine
0
acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
gant 61
0
aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor		00low000000
afimoxifene
0
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		00low000000
tamoxifen
0
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		00low000000
tandutinib
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
dasatinib
0
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		00low000000
alvocidib
0
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
pd 166866
0
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
bosutinib
0
aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
palbociclib
0
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
muromonab-cd3
0
alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite		00low000000
zm 447439
0
aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor		00low000000
NNC 55-0396 (free base)
0
benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
pateamine a
0
1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound		antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite		00low000000
avenanthramide b
0
amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin		00low000000
bibw 2992
0
aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
crenolanib
0
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
abt-737
0
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
azd 1152
0
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
carfilzomib
0
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		00low000000
zstk474
0
benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
trametinib
0
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		00low000000
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one
0
alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite		00low000000
azd 1152-hqpa
0
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		00low000000
buparlisib
0
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
tenovin-6
0
monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor		00low000000
lde225
0
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
sch772984
0
biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
quizartinib
0
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		00low000000
navitoclax
0
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
0
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
asp3026
0
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor		00low000000
cblc137
0
aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator		00low000000
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
gilteritinib
0
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
alectinib
0
aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pracinostat
0
benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
AZD3463
0
aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
gsk2879552
0
benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor		00low000000
osimertinib
0
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
ly3009120
0
aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor		00low000000
as 1842856
0
organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent		00low000000
BDA-366
0
anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer		00low000000
ver 52296
0
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		00low000000
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile
0
hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor		00low000000
sotorasib
0
acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
quinacrine
1
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		201820186.0low000010
pk 11195
1
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent2013201311.0low000010
pd 173074
1
aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		2013201311.0low000010
abt 702
1
bipyridines2013201311.0low000010
bicalutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol		2013201311.0low000010
verapamil
1
aromatic ether;
nitrile;
polyether;
tertiary amino compound		2013201311.0low000010
celecoxib
1
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
chelerythrine
1
benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		2013201311.0low000010
chloroquine
1
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		201820186.0low000010
furosemide
1
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2013201311.0low000010
gossypol
1
2013201311.0low000010
fasudil
1
isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent		2013201311.0low000010
indirubin-3'-monoxime
1
2013201311.0low000010
leflunomide
1
(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		2013201311.0low000010
letrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2013201311.0low000010
lg 100268
1
2013201311.0low000010
metformin
1
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		2013201311.0low000010
mitoxantrone
1
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2013201311.0low000010
entinostat
1
benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2013201311.0low000010
olprinone
1
bipyridines2013201311.0low000010
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		2013201311.0low000010
pioglitazone
1
aromatic 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		2013201311.0low000010
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
1
indoles2013201311.0low000010
riluzole
1
benzothiazoles2013201311.0low000010
sb 206553
1
pyrroloindole2013201311.0low000010
sb 220025
1
aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines		angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
sb 202190
1
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
sk&f 86002
1
imidazoles2013201311.0low000010
imatinib
1
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		2013201311.0low000010
vorinostat
1
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2013201311.0low000010
sulfasalazine
1
2013201311.0low000010
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
1
stilbenoid2013201311.0low000010
troglitazone
1
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		2013201311.0low000010
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent2013201311.0low000010
podophyllotoxin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2013201311.0low000010
formestane
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2013201311.0low000010
hydroxychloroquine sulfate
1
2013201311.0low000010
amiloride hydrochloride, anhydrous
1
hydrochloridediuretic;
sodium channel blocker		2013201311.0low000010
acadesine
1
1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor		2013201311.0low000010
cladribine
1
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		2013201311.0low000010
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
flubendazole
1
aromatic ketone;
benzimidazoles;
carbamate ester;
organofluorine compound		antinematodal drug;
teratogenic agent		201820186.0low000010
lonidamine
1
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		2013201311.0low000010
simvastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug		2013201311.0low000010
itraconazole
1
aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor		2013201311.0low000010
pravadoline
1
2013201311.0low000010
zileuton
1
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		2013201311.0low000010
niguldipine
1
diarylmethane2013201311.0low000010
topotecan
1
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		2013201311.0low000010
eliprodil
1
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		2013201311.0low000010
gemcitabine
1
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic		2013201311.0low000010
verapamil hydrochloride
1
2013201311.0low000010
efavirenz
1
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
bendamustine
1
benzimidazoles2013201311.0low000010
caroverine
1
quinoxaline derivative2013201311.0low000010
cgs 9343b
1
benzimidazoles2013201311.0low000010
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		2013201311.0low000010
2-methoxyestradiol
1
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		2013201311.0low000010
alacepril
1
dipeptide;
thioacetate ester		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2013201311.0low000010
ubenimex
1
2013201311.0low000010
vinpocetine
1
2013201311.0medium000010
deguelin
1
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		2013201311.0low000010
triptolide
1
diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite		2013201311.0low000010
sr 48692
1
N-acyl-amino acid2013201311.0low000010
elacridar
1
2013201311.0low000010
gefitinib
1
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		2013201311.0low000010
bay x 1005
1
2013201311.0low000010
gyki 53655
1
2013201311.0low000010
ml-3000
1
2013201311.0low000010
cd 437
1
adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist		2013201311.0low000010
docetaxel anhydrous
1
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		2013201311.0low000010
perifosine
1
ammonium betaine;
phospholipid		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
mk 767
1
2013201311.0low000010
bazedoxifene acetate
1
2013201311.0medium000010
canertinib
1
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
birb 796
1
aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator		2013201311.0low000010
tipifarnib
1
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		2013201311.0low000010
cyc 202
1
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2013201311.0low000010
sb 203580
1
imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent		2013201311.0low000010
enzastaurin
1
indoles;
maleimides		2013201311.0low000010
erlotinib
1
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		2013201311.0low000010
piboserod
1
2013201311.0low000010
l 163191
1
2013201311.0low000010
bd 1047
1
primary amine2013201311.0low000010
lapatinib
1
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
sorafenib
1
(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		2013201311.0low000010
lenalidomide
1
aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator		2013201311.0low000010
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
1
aminoquinoline2013201311.0medium000010
sr 142806
1
2013201311.0low000010
elesclomol
1
carbohydrazide;
thiocarbonyl compound		antineoplastic agent;
apoptosis inducer		2013201311.0low000010
wortmannin
1
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		201820186.0low000010
nsc 663284
1
quinolone2013201311.0low000010
bortezomib
1
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		2013201311.0low000010
bardoxolone methyl
1
cyclohexenones2013201311.0low000010
nsc 23766
1
aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist		2013201311.0low000010
gw 3965
1
diarylmethane2013201311.0low000010
y 27632
1
aromatic amide2013201311.0low000010
6-bromoindirubin-3'-oxime
1
2013201311.0low000010
purvalanol b
1
purvalanolprotein kinase inhibitor2013201311.0low000010
y-700
1
2013201311.0low000010
repsox
1
pyrazolopyridine2013201311.0low000010
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide
1
tropane alkaloid2013201311.0medium000010
s 1033
1
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
mercaptopurine
1
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		2013201311.0low000010
rg108
1
indolyl carboxylic acid2013201311.0low000010
stf 083010
1
2013201311.0medium000010
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
1
naphthalenecarboxamide2013201311.0low000010
cct018159
1
benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		2013201311.0low000010
secinh3
1
triazoles2013201311.0low000010
jk184
1
2013201311.0low000010
tamoxifen citrate
1
citrate saltangiogenesis inhibitor;
anticoronaviral agent		2013201311.0low000010
hc-067047
1
2013201311.0low000010
bi-78d3
1
aryl sulfide2013201311.0low000010
gsk 3787
1
2013201311.0low000010
methyl-thiohydantoin-tryptophan
1
organonitrogen compound;
organooxygen compound		2013201311.0low000010
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester
1
monocarboxylic acid2013201311.0medium000010
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide
1
sulfonamide2013201311.0low000010
LSM-1318
1
oxa-steroid2013201311.0low000010
rwj 67657
1
2013201311.0low000010
6-methyl-2-(phenylethynyl)pyridine
1
acetylenic compound;
methylpyridines		anxiolytic drug;
metabotropic glutamate receptor antagonist		2013201311.0low000010
bms 387032
1
1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2013201311.0low000010
tandutinib
1
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		2013201311.0low000010
vx-745
1
aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
corlanor
1
hydrochloridecardiotonic drug2013201311.0medium000010
dasatinib
1
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
zd 6474
1
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
compound 968
1
benzophenanthridineEC 3.5.1.2 (glutaminase) inhibitor2013201311.0low000010
sb-224289
1
1,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound		serotonergic antagonist2013201311.0low000010
gw 7647
1
aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist2013201311.0low000010
l 663536
1
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		2013201311.0low000010
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
1
imidazoles2013201311.0medium000010
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine
1
aromatic amine;
tertiary amino compound		2013201311.0medium000010
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester
1
isoquinolines2013201311.0low000010
sch 79797
1
quinazolines2013201311.0low000010
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide
1
benzamides;
benzodioxoles;
imidazoles;
pyridines		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor2013201311.0low000010
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
1
monobactam2013201311.0medium000010
imd 0354
1
benzamides2013201311.0low000010
ex 527
1
carbazoles;
monocarboxylic acid amide;
organochlorine compound		2013201311.0low000010
quercetin
1
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		2013201311.0low000010
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2013201311.0low000010
fenretinide
1
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		2013201311.0low000010
ter 199
1
2013201311.0low000010
arachidonylcyclopropylamide
1
2013201311.0low000010
ly 320135
1
benzofurans2013201311.0low000010
pd 166285
1
2013201311.0low000010
kn 62
1
piperazines2013201311.0low000010
su 6656
1
2013201311.0low000010
semaxinib
1
olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
su 11248
1
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
palbociclib
1
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2013201311.0low000010
jnj-7706621
1
sulfonamide2013201311.0low000010
cisplatin
1
diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent		2013201311.0low000010
vx680
1
N-arylpiperazine2013201311.0low000010
d 4476
1
imidazoles2013201311.0low000010
cyc 116
1
2013201311.0low000010
bay 19-8004
1
2013201311.0low000010
axitinib
1
aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
pai 039
1
indole-3-acetic acids2013201311.0low000010
gw2974
1
pyridopyrimidine2013201311.0low000010
ispinesib
1
benzamides2013201311.0low000010
temsirolimus
1
macrolide lactam2013201311.0low000010
pd 184352
1
aminobenzoic acid2013201311.0low000010
bibx 1382bs
1
substituted aniline2013201311.0low000010
hdac-42
1
amidobenzoic acid2013201311.0low000010
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone
1
benzamides;
N-acylpiperidine		2013201311.0low000010
iniparib
1
carbonyl compound;
organohalogen compound		2013201311.0low000010
mk 0752
1
2013201311.0low000010
gw 501516
1
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		2013201311.0low000010
av 412
1
2013201311.0low000010
ag-041r
1
2013201311.0low000010
telatinib
1
2013201311.0low000010
cp 547632
1
2013201311.0low000010
spc-839
1
2013201311.0low000010
lenvatinib
1
aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
andarine
1
acetamides;
anilide		2013201311.0low000010
gw843682x
1
(trifluoromethyl)benzenes2013201311.0low000010
pd 0325901
1
difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor		2013201311.0low000010
midostaurin
1
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		2013201311.0low000010
ag 14361
1
benzimidazoles2013201311.0low000010
sb 265610
1
2013201311.0low000010
fr 148083
1
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		2013201311.0low000010
mocetinostat
1
aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent		2013201311.0low000010
osi 930
1
aromatic amide2013201311.0low000010
ki 20227
1
2013201311.0low000010
scio-469
1
aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
ssr 69071
1
pyridopyrimidine2013201311.0low000010
pi103
2
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201320188.5low000020
sb 210313
1
2013201311.0high000010
gw 4064
1
stilbenoid2013201311.0low000010
sa 4503
1
2013201311.0low000010
ic 87114
1
6-aminopurines;
biaryl;
quinazolines		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
zibotentan
1
phenylpyridine2013201311.0low000010
tivozanib
1
aromatic ether2013201311.0low000010
hki 272
1
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
tofacitinib
1
N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
bibr 1532
1
2013201311.0low000010
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
1
2013201311.0low000010
rucaparib
1
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		2013201311.0low000010
cediranib
1
aromatic ether2013201311.0low000010
gw0742
1
monocarboxylic acid2013201311.0low000010
ps1145
1
beta-carbolines2013201311.0low000010
bay 41-8543
1
pyrazolopyridine2013201311.0low000010
chir 99021
1
aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor2013201311.0low000010
sb 525334
1
quinoxaline derivative2013201311.0low000010
way-362450
1
indoles2013201311.0low000010
masitinib
1
1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor		2013201311.0low000010
bx795
1
ureas2013201311.0low000010
pazopanib
1
aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
sepantronium
1
organic cation2013201311.0low000010
azd 6244
1
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
1
2013201311.0low000010
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
1
1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor2013201311.0medium000010
ar c155858
1
2013201311.0low000010
aee 788
1
6-{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		2013201311.0low000010
saracatinib
1
aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent		2013201311.0low000010
sd-208
1
2013201311.0low000010
vx 702
1
phenylpyridine2013201311.0low000010
volasertib
1
2013201311.0low000010
PB28
1
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		2013201311.0low000010
azd 7762
1
aromatic amide;
thiophenes		2013201311.0low000010
krp-203
1
2013201311.0low000010
mk 0354
1
2013201311.0low000010
regorafenib
1
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		2013201311.0low000010
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
1
pyrroloquinoline2013201311.0low000010
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
1
methoxybenzenes;
substituted aniline		2013201311.0low000010
brivanib
1
aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		2013201311.0low000010
icg 001
1
peptide2013201311.0low000010
mp470
1
N-arylpiperazine2013201311.0low000010
nu 7441
1
dibenzothiophenes2013201311.0low000010
at 7519
1
dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2013201311.0low000010
bi 2536
1
2013201311.0low000010
danusertib
1
piperazines2013201311.0low000010
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide
1
benzamides2013201311.0low000010
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide
1
benzamides2013201311.0low000010
abt 869
1
aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		2013201311.0low000010
dorsomorphin
1
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor		2013201311.0low000010
ac 261066
1
2013201311.0low000010
carfilzomib
1
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		2013201311.0low000010
gw9508
1
aromatic amine2013201311.0low000010
jnj 26854165
1
2013201311.0low000010
pf 573228
1
quinolines2013201311.0low000010
gw 2580
1
2013201311.0low000010
idelalisib
1
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		2013201311.0low000010
crizotinib
1
3-[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		2013201311.0low000010
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile
1
benzimidazoles2013201311.0low000010
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
1
aromatic amide;
heteroarene		2013201311.0low000010
osi 906
1
cyclobutanes;
quinolines		2013201311.0low000010
ly2109761
1
2013201311.0low000010
chir-265
1
aromatic ether2013201311.0low000010
motesanib
1
pyridinecarboxamide2013201311.0low000010
az-628
1
benzamides2013201311.0low000010
trametinib
1
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2013201311.0low000010
pf-562,271
1
indoles2013201311.0low000010
veliparib
1
benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2013201311.0low000010
ku-0060648
1
dibenzothiophenes2013201311.0low000010
dactolisib
2
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201320217.0low000011
palomid 529
1
2013201311.0low000010
tosedostat
1
carboxylic ester;
hydroxamic acid;
secondary carboxamide		2013201311.0low000010
mdv 3100
1
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		2013201311.0low000010
ku 60019
1
2013201311.0low000010
gsk 461364
1
(trifluoromethyl)benzenes2013201311.0low000010
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
1
2013201311.0low000010
nvp-tae684
1
piperidines2013201311.0low000010
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide
1
2013201311.0medium000010
gsk 269962a
1
2013201311.0low000010
a-83-01
1
2013201311.0low000010
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
1
indoles2013201311.0medium000010
vx-770
1
aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone		CFTR potentiator;
orphan drug		2013201311.0low000010
buparlisib
1
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		2013201311.0low000010
azd 1480
1
2013201311.0low000010
fedratinib
1
sulfonamide2013201311.0low000010
gsk690693
1
1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		2013201311.0low000010
cnf 2024
1
2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor		2013201311.0low000010
azd 7545
1
benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent		2013201311.0low000010
nutlin-3b
1
Nutlin;
piperazinone		anticoronaviral agent2013201311.0low000010
pf 04217903
1
quinolines2013201311.0low000010
gdc 0941
1
indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
sm 164
1
benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent		2013201311.0low000010
ph 797804
1
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
pha 408
1
2013201311.0low000010
gsk 1016790a
1
1-benzothiophenes;
aromatic primary alcohol;
dichlorobenzene;
N-acylpiperazine;
sulfonamide;
tertiary carboxamide		TRPV4 agonist2013201311.0low000010
olaparib
1
cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		2013201311.0low000010
srt1720
1
2013201311.0low000010
plx 4720
1
aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		2013201311.0low000010
cx 4945
1
2013201311.0low000010
cudc 101
1
2013201311.0low000010
mln 8237
1
benzazepine2013201311.0low000010
lde225
1
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		2013201311.0low000010
gdc 0449
1
benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent		2013201311.0low000010
sgx 523
1
aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine		c-Met tyrosine kinase inhibitor;
nephrotoxic agent		2013201311.0low000010
bms 777607
1
aromatic amide2013201311.0low000010
sgi 1776
1
imidazoles2013201311.0low000010
pci 32765
1
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
ponatinib
1
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
amg 900
1
2013201311.0low000010
mk-1775
1
piperazines2013201311.0low000010
bag956
1
2013201311.0low000010
quizartinib
1
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		2013201311.0low000010
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester
1
carbamate ester2013201311.0low000010
tak 733
1
2013201311.0low000010
mk 2206
1
organic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
navitoclax
1
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		2013201311.0low000010
sns 314
1
ureas2013201311.0low000010
jzl 184
1
benzodioxoles2013201311.0low000010
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
1
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
dcc-2036
1
organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor2013201311.0low000010
cabozantinib
1
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide
1
benzamides2013201311.0low000010
incb-018424
1
nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
bix 01294
1
piperidines2013201311.0low000010
pf 3845
1
piperidines2013201311.0low000010
gsk 2126458
1
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		2013201311.0low000010
ixazomib
1
benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor		2013201311.0low000010
ldn 193189
1
pyrimidines2013201311.0low000010
azd2014
1
2013201311.0low000010
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
2
benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor		201320188.5low000020
plx4032
1
aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		2013201311.0low000010
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol
1
biphenyls2013201311.0low000010
gsk 1363089
1
aromatic ether2013201311.0low000010
kin-193
1
pyridopyrimidine2013201311.0low000010
bay 869766
1
2013201311.0low000010
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester
2
carbamate ester201320188.5medium000020
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		2013201311.0low000010
mrt67307
1
aromatic amine201820186.0low000010
pki 587
1
201820186.0low000010
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
1
benzenes;
sulfonamide		2013201311.0low000010
cp 466722
1
quinazolines2013201311.0low000010
CAY10626
1
ureas2013201311.0medium000010
thiopental sodium
1
organochlorine compound;
piperazines;
pyrimidines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
pha 793887
1
piperidinecarboxamide2013201311.0low000010
nvp-bsk805
1
2013201311.0low000010
xmd 8-92
1
pyrimidobenzodiazepineprotein kinase inhibitor2013201311.0low000010
jq1 compound
1
carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer		2013201311.0low000010
jnj38877605
1
quinolines2013201311.0low000010
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide
1
benzothiazoles2013201311.0medium000010
torin 1
2
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		201320188.5medium000020
ly2940680
1
2013201311.0low000010
tubastatin a
1
hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor202120213.0low000001
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
1
ureas2013201311.0low000010
ro 4929097
1
dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound		EC 3.4.23.46 (memapsin 2) inhibitor2013201311.0medium000010
gsk4112
1
2013201311.0low000010
spautin-1
1
201820186.0low000010
torin 2
2
aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor		201320188.5medium000020
pf-4708671
1
2013201311.0low000010
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
1
benzamides;
N-acylpiperidine		2013201311.0medium000010
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide
1
aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes		2013201311.0medium000010
belinostat
1
olefinic compound2013201311.0medium000010
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate
1
carboxylic acid;
pyrroline		2013201311.0low000010
a 769662
2
biphenyls201320188.5low000020
LimKi 3
1
1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide		LIM kinase inhibitor2013201311.0low000010
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone
1
pyrroles2013201311.0medium000010
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole
1
dipyrrins2013201311.0medium000010
acy-738
1
202120213.0medium000001
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide
1
tryptamines2013201311.0medium000010
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione
1
pyrazines2013201311.0medium000010
gsk837149a
1
2013201311.0low000010
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
1
quinazolines2013201311.0medium000010
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
1
quinazolines2013201311.0medium000010
wnt-c59
1
2013201311.0low000010
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime
1
indanes2013201311.0medium000010
cc-223
1
202120213.0low000001
sar405
1
201820186.0low000010
sbi-0206965
1
201820186.0low000010
chir 258
1
2013201311.0low000010
osi 027
1
2013201311.0low000010
hli 373
1
2013201311.0medium000010
pemetrexed
1
N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor		2013201311.0low000010
sildenafil citrate
1
citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2013201311.0low000010
aprepitant
1
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist		2013201311.0low000010
xav939
1
(trifluoromethyl)benzenes;
thiopyranopyrimidine		tankyrase inhibitor2013201311.0low000010
2-carboxyarabinitol 1-phosphate
1
2013201311.0low000010
nintedanib
1
2013201311.0low000010
ver 52296
1
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		2013201311.0low000010
sb-590885
1
aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound		2013201311.0medium000010
pf-477736
1
2013201311.0low000010
pp242
1
aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor		201820186.0low000010
fenobam
1
ureas2013201311.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
lactic acid
1
2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite		201720177.0low000010
glycine
1
alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical		202020204.0low000010
nitrites
1
monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite201720177.0low000010
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2014201410.0low000010
isoproterenol
1
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		2014201410.0low000010
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
3
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		201220209.0low000030
metformin
1
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		2013201311.0low000010
vorinostat
1
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2013201311.0low000010
temozolomide
1
imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug		2014201410.0low000010
serine
2
L-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		2011201312.0low000020
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		2014201410.0low000010
threonine
1
amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
indazoles
2
indazole2012201212.0low000020
alpha-aminopyridine
2
2013201410.5low000020
diphenylamine
1
aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger		2012201212.0low000010
docetaxel anhydrous
1
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		202220222.0low000001
erlotinib hydrochloride
1
hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor		202020204.0low000010
carboplatin
1
2014201410.0low000010
tacrolimus
2
macrolide lactambacterial metabolite;
immunosuppressive agent		201320207.5low000020
isoliquiritigenin
1
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		201720177.0low000010
thiourea
1
one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore		2013201311.0low000010
u 0126
2
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		2011201312.0low000020
sirolimus
21
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		201120219.4low0000201
salubrinal
1
aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas		2013201311.0low000010
everolimus
5
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		201320216.0low000041
sq-23377
1
cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite		202020204.0low000010
pd 0325901
1
difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor		2012201212.0low000010
pi103
3
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		2012201411.0low000030
azd 6244
1
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2012201212.0low000010
dactolisib
3
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		2011201312.0low000030
buparlisib
2
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		2013201410.5low000020
azd 1480
1
202020204.0low000010
bag956
1
2012201212.0low000010
mk 2206
1
organic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2012201212.0low000010
neurotensin
1
peptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary		2013201311.0low000010
gsk 2126458
1
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		201820186.0low000010
ldn 193189
1
pyrimidines2012201212.0low000010
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine
1
benzoxazole202020204.0low000010
ascorbic acid
1
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		201920195.0low000010
6-o-palmitoylascorbic acid
1
fatty acid ester201920195.0low000010
osimertinib
1
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		202020204.0low000010
dacarbazine
1
dacarbazine2014201410.0low000010
pp242
3
aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor		201320208.0low000030
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Acute Lymphoid Leukemia0
1
2013201311.0low000010
Adenocarcinoma Of Kidney0
3
2013201510.3low000030
Aging0
2
201320198.0low000020
Angiogenesis, Pathologic0
3
2011201511.0low000030
Anoxemia0
1
201920195.0low000010
Astrocytoma, Grade IV0
2
201220208.0low000020
Benign Neoplasms0
1
2011201113.0low000010
Benign Neoplasms, Brain0
1
202020204.0low000010
Bladder Cancer0
1
201520159.0low000010
Brain Injuries, Traumatic0
1
202120213.0low000001
Brain Neoplasms0
1
202020204.0low000010
Breast Cancer0
1
2013201311.0low000010
Breast Neoplasms0
1
2013201311.0low000010
Cancer of Kidney0
1
2013201311.0low000010
Cancer of Liver0
2
201820214.5low000011
Cancer of Pancreas0
2
201320207.5low000020
Cancer of Prostate0
3
2012201311.7low000030
Cancer of Stomach0
1
2014201410.0low000010
Carcinoma, Ductal, Pancreatic0
1
2013201311.0low000010
Carcinoma, Hepatocellular0
2
201820214.5low000011
Carcinoma, Non-Small Cell Lung0
1
2013201311.0low000010
Carcinoma, Non-Small-Cell Lung0
1
2013201311.0low000010
Carcinoma, Pancreatic Ductal0
1
2013201311.0low000010
Carcinoma, Renal Cell0
3
2013201510.3low000030
Carcinoma, Transitional Cell0
1
201520159.0low000010
Congenital Zika Syndrome0
1
202020204.0low000010
Disease Models, Animal0
2
202020213.5low000011
Encephalopathy, Traumatic0
1
202120213.0low000001
ER-Negative PR-Negative HER2-Negative Breast Cancer0
1
202220222.0low000001
Experimental Neoplasms0
2
2012201510.5low000020
Fasting Hypoglycemia0
1
2014201410.0low000010
Glioblastoma0
2
201220208.0low000020
Hepatocellular Carcinoma0
2
201820214.5low000011
Hypoglycemia0
1
2014201410.0low000010
Hypoxia0
1
201920195.0low000010
Injuries, Spinal Cord0
1
201720177.0low000010
Invasiveness, Neoplasm0
1
201520159.0low000010
Keloid0
1
2013201311.0low000010
Kidney Neoplasms0
1
2013201311.0low000010
Leishmania Infection0
1
201820186.0low000010
Leishmaniasis0
1
201820186.0low000010
Leukemia, Lymphoblastic, Acute, T Cell0
1
2012201212.0low000010
Liver Neoplasms0
2
201820214.5low000011
Malignant Melanoma0
1
201720177.0low000010
Melanoma0
1
201720177.0low000010
Neoplasms0
1
2011201113.0low000010
Pancreatic Neoplasms0
2
201320207.5low000020
Precursor Cell Lymphoblastic Leukemia-Lymphoma0
1
2013201311.0low000010
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma0
1
2012201212.0low000010
Prostatic Neoplasms0
3
2012201311.7low000030
Rhabdomyosarcoma0
1
2014201410.0low000010
Spinal Cord Injuries0
1
201720177.0low000010
Stomach Neoplasms0
1
2014201410.0low000010
Triple Negative Breast Neoplasms0
1
202220222.0low000001
Urinary Bladder Neoplasms0
1
201520159.0low000010
Zika Virus Infection0
1
202020204.0low000010

Bioavailability (1)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019