Compounds > sr1664
Page last updated: 2024-08-03 17:42:04

sr1664

Description

[1,1'-biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]- : no description available [CHeBI]

Cross-References

ID SourceID
PubMed CID53239854
CHEMBL ID3348830
SCHEMBL ID14121027
CHEBI ID183838
MeSH IDM0562075

Synonyms (36)

Synonym
MLS003672599
(s)-4'-((5-(1-(4-nitrophenyl)ethylcarbamoyl)-2,3-dimethyl-1h-indol-1-yl)methyl)biphenyl-2-carboxylic acid
smr002352270
NCGC00347955-01
(s)-4'-((2,3-dimethyl-5-(1-(4-nitrophenyl)ethylcarbamoyl)-1h-indol-1-yl)methyl)biphenyl-2-carboxylic acid
IIJDFXNUWZTHIM-NRFANRHFSA-N ,
MLS006010841
us8957093, 73
bdbm147253
SCHEMBL14121027
1338259-05-4
4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]-[1,1'-biphenyl]-2-carboxylic acid
sr 1664
3jx ,
4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
AKOS024458145
sr-1664
CHEMBL3348830
NCGC00347955-04
NCGC00347955-07
(s)-4'-((2,3-dimethyl-5-((1-(4-nitrophenyl)ethyl)carbamoyl)-1h-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
bdbm458391
us10744117, compound ib-73
sr1664
(s)-4'-((2,3-dimethyl-5-((1-(4-nitrophenyl)ethyl)carbamoyl)-1h-indol-1-yl)methyl)biphenyl-2-carboxylic acid
2-[4-[[2,3-dimethyl-5-[[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]-[1,1'-biphenyl]-2-carboxylicacid
Q27453862
MS-30036
CHEBI:183838
[1,1'-biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]-
AC-36993
EX-A6071
CS-0011741
HY-12483
AKOS040745372

Drug Classes (1)

ClassDescription
indolecarboxamide

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency26.8370AID1645841
GVesicular stomatitis virusPotency15.0916AID1645842
cytochrome P450 2D6Homo sapiens (human)Potency37.9083AID1645840
Interferon betaHomo sapiens (human)Potency15.0916AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency15.0916AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency15.0916AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency15.0916AID1645842

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Peroxisome proliferator-activated receptor gammaHomo sapiens (human)IC500.2713AID1260992; AID1827895; AID1827920

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Peroxisome proliferator-activated receptor gammaHomo sapiens (human)EC504.2880AID1260993

Bioassays (76)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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.
AID1347163384 well plate NINDS AMC confirmatory 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.
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.
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.
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.
AID1347164384 well plate NINDS Rhodamine confirmatory 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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
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.
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.
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.
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.
AID1508612NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling2017Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3
ISSN: 1464-3391		Highly predictive and interpretable models for PAMPA permeability.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1508591NCATS Rat Liver Microsome Stability Profiling2020Scientific reports, 11-26, Volume: 10, Issue:1
ISSN: 2045-2322		Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1347160Primary 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.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings 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.
AID1827918Toxicity in ob/ob mouse assessed as tolerance2022ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4
ISSN: 1948-5875		Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPARγ Phosphorylation.
AID1827895Binding affinity to PPARgamma (unknown origin) by lanthascreen TR-FRET assay2022ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4
ISSN: 1948-5875		Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPARγ Phosphorylation.
AID1231373Activity at PPARgamma (unknown origin) assessed as transactivation activity by reporter gene assay2015Journal of medicinal chemistry, Jul-23, Volume: 58, Issue:14
ISSN: 1520-4804		Peroxisome Proliferator-Activated Receptor γ (PPARγ) and Ligand Choreography: Newcomers Take the Stage.
AID1260992Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe2015ACS medicinal chemistry letters, Sep-10, Volume: 6, Issue:9
ISSN: 1948-5875		Design, Synthesis, and Biological Evaluation of Indole Biphenylcarboxylic Acids as PPARγ Antagonists.
AID1231374Activity at PPARgamma (unknown origin) assessed as transactivation activity by reporter gene assay relative to rosiglitazone2015Journal of medicinal chemistry, Jul-23, Volume: 58, Issue:14
ISSN: 1520-4804		Peroxisome Proliferator-Activated Receptor γ (PPARγ) and Ligand Choreography: Newcomers Take the Stage.
AID1260994Transactivation of human PPARgamma in HEK293T cells at 10 uM after 18 hrs by luciferase reporter gene assay2015ACS medicinal chemistry letters, Sep-10, Volume: 6, Issue:9
ISSN: 1948-5875		Design, Synthesis, and Biological Evaluation of Indole Biphenylcarboxylic Acids as PPARγ Antagonists.
AID1827920Inhibition of PPARgamma (unknown origin) phosphorylation at pS273 residue2022ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4
ISSN: 1948-5875		Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPARγ Phosphorylation.
AID1260995Inhibition of rosiglitazone-induced transactivation of human PPARgamma in HEK293T cells after 18 hrs by luciferase reporter gene assay2015ACS medicinal chemistry letters, Sep-10, Volume: 6, Issue:9
ISSN: 1948-5875		Design, Synthesis, and Biological Evaluation of Indole Biphenylcarboxylic Acids as PPARγ Antagonists.
AID1260993Transactivation of human PPARgamma in HEK293T cells after 18 hrs by luciferase reporter gene assay2015ACS medicinal chemistry letters, Sep-10, Volume: 6, Issue:9
ISSN: 1948-5875		Design, Synthesis, and Biological Evaluation of Indole Biphenylcarboxylic Acids as PPARγ Antagonists.
AID1827897Agonist activity at Gal4-fused PPARgamma (unknown origin) expressed in human U2OS cells co-transfected with pSG5 expression vector assessed as maximum agonist effect at 50 uM preincubated for 40 hrs followed by substrate addition by microplate reader assa2022ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4
ISSN: 1948-5875		Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPARγ Phosphorylation.
AID1645848NCATS Kinetic Aqueous Solubility Profiling2019Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14
ISSN: 1464-3391		Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1347156DAPI mCherry 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.
AID1347158ZIKV-mCherry secondary 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.
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.

Research

Studies (14)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's6 (42.86)24.3611
2020's8 (57.14)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (7.14%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other13 (92.86%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
delavirdine
0
aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor		00low000000
n,n-dipropylcarboxamidotryptamine
0
indolecarboxamide00low000000
devazepide
0
1,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug		00low000000
1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide
0
indolecarboxamideanticoronaviral agent00low000000
N'-[(2-chlorophenyl)-oxomethyl]-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
0
indolecarboxamide00low000000
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide
0
indolecarboxamide00low000000
3-amino-4-methoxy-1H-indole-2-carbohydrazide
0
indolecarboxamide00low000000
1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester
0
indolecarboxamide00low000000
5-methoxy-N-(1-methoxypropan-2-yl)-1H-indole-2-carboxamide
0
indolecarboxamide00low000000
N-butyl-5-methoxy-1H-indole-2-carboxamide
0
indolecarboxamide00low000000
jhw 015
0
indolecarboxamide00low000000
silodosin
0
indolecarboxamide00low000000
nsc 716970
0
aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent00low000000
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
jwh 018
0
indolecarboxamide00low000000
jwh-073
0
indolecarboxamide00low000000
PF-00835231
0
aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
jaw
0
indolecarboxamide00low000000
pci 34051
0
indolecarboxamide00low000000
N-[[1H-indol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester
0
indolecarboxamide00low000000
jwh-210
0
indolecarboxamide00low000000
AM2201
0
indolecarboxamide00low000000
sts-135
0
indolecarboxamide00low000000
1-[(1R)-1-(1-ethylsulfonyl-4-piperidinyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-indolecarboxamide
0
indolecarboxamide00low000000
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide
0
aldehyde;
indolecarboxamide;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
0
aldehyde;
indolecarboxamide;
monofluorobenzenes;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
PF-07304814
0
aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
b 844-39
1
diarylmethane201720177.0low000010
pk 11195
3
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent201720205.3low000030
jtv519
3
201720205.3high000030
alprazolam
3
organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic		201720205.3low000030
dan 2163
3
aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic		201720205.3low000030
amlexanox
3
monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug		201720205.3low000030
astemizole
3
benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist		201720205.3low000030
benzbromarone
3
1-benzofurans;
aromatic ketone		uricosuric drug201720205.3low000030
bisindolylmaleimide i
3
201720205.3low000030
bufexamac
3
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201720205.3low000030
cadralazine
3
organic molecular entity201720205.3low000030
carvedilol
2
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		201920204.5low000020
cetirizine
2
ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic		201920204.5low000020
chlorcyclizine
3
diarylmethane201720205.3low000030
ci 994
3
acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		201720205.3low000030
cyclosporine
2
201720205.5high000020
decanoic acid
1
medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component		201520159.0low000010
fenbendazole
3
aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug201720205.3low000030
berotek
1
resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent		201720177.0low000010
go 6976
3
indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor201720205.3low000030
haloperidol
3
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		201720205.3low000030
homochlorocyclizine
3
diarylmethane201720205.3low000030
hydroxyzine
3
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist		201720205.3low000030
ifenprodil
3
piperidines201720205.3low000030
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone
3
naphthalenes201720205.3medium000030
ketamine
3
cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic		201720205.3low000030
ketoprofen
3
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		201720205.3low000030
mebendazole
3
aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator		201720205.3low000030
mephenesin
3
aromatic ether;
glycerol ether		201720205.3low000030
niclosamide
3
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		201720205.3low000030
oxibendazole
3
benzimidazoles;
carbamate ester		201720205.3low000030
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine
3
201720205.3low000030
perphenazine
3
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		201720205.3low000030
pimobendan
3
benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		201720205.3low000030
ag 1879
3
aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		201720205.3low000030
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
2
indoles201720205.5medium000020
ro 31-8220
3
imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor201720205.3low000030
ropinirole
3
indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist		201720205.3low000030
vorinostat
3
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		201720205.3low000030
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
2
stilbenoid201720205.5high000020
trifluperidol
1
aromatic ketone201720177.0low000010
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
3
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		201720205.3low000030
zotepine
3
dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug		201720205.3low000030
colchicine
3
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		201720205.3low000030
benziodarone
3
aromatic ketone201720205.3low000030
cyclizine
1
N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic		201920195.0low000010
trehalose
3
trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201720205.3low000030
triclocarban
3
dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic		201720205.3low000030
4-tert-octylphenol
3
alkylbenzene201720205.3low000030
ethamivan
3
methoxybenzenes;
phenols		201720205.3low000030
methysergide
3
ergoline alkaloid201720205.3low000030
emetine
3
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		201720205.3low000030
podophyllotoxin
3
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		201720205.3low000030
etonitazene
3
201720205.3low000030
clothiapine
3
dibenzothiazepine201720205.3low000030
benperidol
3
aromatic ketone201720205.3low000030
7-hydroxychlorpromazine
3
phenothiazines201720205.3medium000030
camptothecin
3
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		201720205.3low000030
thenalidine
3
dialkylarylamine;
tertiary amino compound		201720205.3medium000030
bromocriptine
3
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		201720205.3low000030
dexchlorpheniramine
3
chlorphenamine201720205.3low000030
dv 1006
3
201720205.3medium000030
climbazole
3
aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes		201720205.3low000030
triadimenol
3
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		201720205.3medium000030
amonafide
3
isoquinolines201720205.3low000030
flupirtine
3
aminopyridine201720205.3low000030
chaetochromin
3
201720205.3medium000030
enoximone
3
aromatic ketone201720205.3low000030
aripiprazole
3
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist		201720205.3low000030
aloxistatin
1
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		201920195.0low000010
indocate
3
201720205.3medium000030
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		201520159.0low000010
N(4)-acetylsulfathiazole
3
1,3-thiazoles;
acetamides;
sulfonamide		marine xenobiotic metabolite201720205.3high000030
cyclizine hydrochloride
2
201720205.5medium000020
2,3-trimethylene-4-quinazolone
3
quinazolines201720205.3medium000030
1,3-dimethyluric acid
3
oxopurinemetabolite201720205.3low000030
danofloxacin
3
quinolines201720205.3low000030
nitrefazole
3
imidazoles201720205.3medium000030
methotrimeprazine
3
phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist		201720205.3low000030
honokiol
3
biphenyls201720205.3low000030
9-methoxyellipticine
3
201720205.3low000030
3-aminophenoxazone
3
phenoxazine201720205.3low000030
3-deazaneplanocin
3
201720205.3low000030
tryptanthrine
3
alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		201720205.3low000030
2-chlorodiazepam
3
201720205.3medium000030
Polycartine B
3
phenazines201720205.3high000030
rosiglitazone
3
aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug		201520226.7low000021
aminoquinuride dihydrochloride
3
201720205.3high000030
thioproperazine mesylate
3
phenothiazines201720205.3medium000030
n(6)-(delta(2)-isopentenyl)adenine
3
6-isopentenylaminopurinecytokinin201720205.3low000030
4-methyl-N-(phenylmethyl)benzenesulfonamide
3
sulfonamide201720205.3medium000030
zpck
2
201920204.5low000020
sr141716
3
amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist		201720205.3low000030
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
2
aromatic ketone201720205.5high000020
fingolimod
3
aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		201720205.3low000030
tesmilifene
3
diarylmethane201720205.3low000030
sr 27897
3
indolyl carboxylic acid201720205.3low000030
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
3
leucine derivative201720205.3low000030
norketamine
3
organochlorine compound201720205.3low000030
indatraline
2
indanes201920204.5low000020
methotrexate
3
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		201720205.3low000030
salvinorin a
1
organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen		201920195.0low000010
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide
3
201720205.3low000030
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
3
phenylindole201720205.3low000030
l 741626
3
piperidines201720205.3low000030
dx 8951
3
pyranoindolizinoquinoline201720205.3low000030
tipifarnib
3
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		201720205.3low000030
cyc 202
3
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		201720205.3low000030
avasimibe
3
monoterpenoid201720205.3low000030
l 163191
3
201720205.3low000030
dizocilpine
3
secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		201720205.3low000030
s-benzylcysteine
3
S-aryl-L-cysteine zwitterion201720205.3high000030
chelidonine
3
alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid		201720205.3low000030
lapatinib
3
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
roxindole
3
indolesalpha-adrenergic antagonist;
serotonergic drug		201720205.3low000030
conidendrin
3
201720205.3high000030
Porfiromycine
3
mitomycin201720205.3high000030
nsc 95397
3
1,4-naphthoquinones201720205.3low000030
4-methyl-2-quinazolinamine
3
201720205.3high000030
2-glycineamide-5-chlorophenyl-2-pyrryl ketone
3
201720205.3high000030
niguldipine hydrochloride
2
201920204.5medium000020
2,5-bis(5-hydroxymethyl-2-thienyl)furan
3
thiophenes201720205.3low000030
ritonavir
3
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic		201720205.3low000030
bardoxolone methyl
1
cyclohexenones201920195.0low000010
Destruxin B
3
cyclodepsipeptide201720205.3high000030
tosylphenylalanyl chloromethyl ketone
3
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		201720205.3low000030
trichostatin a
1
antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		201920195.0low000010
sitafloxacin
1
fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic		201920195.0low000010
2'-c-methylcytidine
3
201720205.3low000030
jp-1302
3
201720205.3medium000030
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
3
benzodiazepine201720205.3high000030
tenatoprazole
3
imidazopyridine201720205.3low000030
s 1033
3
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
5-[(2-fluoroanilino)methyl]-8-quinolinol
3
hydroxyquinoline201720205.3high000030
benidipine hydrochloride
2
201720205.5low000020
benidipine
1
201920195.0low000010
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
3
quinazolines201720205.3high000030
chlorprothixene
3
chlorprothixene201720205.3medium000030
jrf 12
3
201720205.3low000030
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
3
methoxybenzenes;
substituted aniline		201720205.3high000030
3-hydroxypyridine, sodium salt
3
201720205.3high000030
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
3
naphthalenecarboxamide201720205.3medium000030
5-[(2-bromoanilino)methyl]-8-quinolinol
3
hydroxyquinoline201720205.3high000030
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
3
201720205.3medium000030
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
3
aromatic amine201720205.3high000030
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide
3
piperidinecarboxamide201720205.3high000030
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol
3
hydroxyquinoline201720205.3high000030
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
3
acetamides;
anilide		201720205.3high000030
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
3
aromatic amide;
thiophenes		201720205.3high000030
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone
3
dimethoxybenzene201720205.3high000030
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
3
aromatic amide201720205.3high000030
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
3
aromatic ether201720205.3high000030
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione
3
maleimides201720205.3high000030
Src Inhibitor-1
3
aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor201720205.3high000030
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
3
dimethoxybenzene201720205.3high000030
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
3
quinolines201720205.3high000030
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3
pyrroles201720205.3high000030
bi-78d3
3
aryl sulfide201720205.3medium000030
kartogenin
3
201720205.3low000030
toremifene
1
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		201920195.0low000010
vx-745
3
aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720205.3low000030
dasatinib
3
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		201720205.3low000030
zd 6474
3
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
2
indoles201920204.5high000020
nih-12848
3
201720205.3high000030
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide
3
quinazolines201720205.3high000030
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
3
benzimidazoles201720205.3high000030
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile
3
imidazopyridine201720205.3high000030
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
3
aromatic ketone201720205.3high000030
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
3
oxopurine201720205.3high000030
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester
3
organonitrogen compound;
organosulfur compound		201720205.3high000030
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide
3
quinolines201720205.3high000030
LSM-1924
3
organic heterotricyclic compound;
organooxygen compound		201720205.3high000030
ferrostatin-1
3
ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger		201720205.3low000030
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine
3
C-nitro compound201720205.3high000030
rabeprazole(1-)
2
organic nitrogen anion201920204.5high000020
ncgc00099374
3
201720205.3high000030
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
3
benzamides201720205.3high000030
luteolin
3
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		201720205.3low000030
cyclosporine
1
201920195.0low000010
kaempferol
3
7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite		201720205.3low000030
genistein
3
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		201720205.3low000030
mycophenolate mofetil
3
carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug		201720205.3medium000030
bruceantin
3
triterpenoid201720205.3low000030
chrysin
3
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		201720205.3low000030
daidzein
3
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		201720205.3low000030
neticonazole
3
aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		201720205.3medium000030
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine
3
endocannabinoid;
N-acylethanolamine 22:6		201720205.3medium000030
n-oleoylethanolamine
3
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist		201720205.3low000030
alpha-zearalenol
3
macrolide201720205.3high000030
su 9516
3
201720205.3low000030
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
3
triazolopyrimidines201720205.3high000030
sb 277011
3
201720205.3low000030
sb 223412
3
201720205.3low000030
sr 59230a
3
tetralins201720205.3high000030
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide
3
pyrimidines201720205.3medium000030
kn 62
3
piperazines201720205.3low000030
MeJA
3
Jasmonate derivatives201720205.3high000030
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
3
201720205.3high000030
pd 161570
3
201720205.3medium000030
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		201720177.0low000010
palbociclib
3
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		201720205.3low000030
jnj-7706621
3
sulfonamide201720205.3low000030
virginiamycin factor s1
3
cyclodepsipeptide;
macrolide antibiotic		antibacterial drug;
bacterial metabolite		201720205.3high000030
fenoterol
2
hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		201920204.5low000020
xib 4035
3
201720205.3high000030
gw-5074
1
201920195.0low000010
belotecan
3
pyranoindolizinoquinoline201720205.3low000030
norgestimate
3
ketoxime;
steroid ester;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive		201720205.3high000030
b 43
3
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		201720205.3medium000030
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine
3
201720205.3medium000030
methiazole
3
benzimidazoles;
carbamate ester		201720205.3high000030
sb 218795
3
quinolines201720205.3medium000030
bvt.948
3
201720205.3high000030
sq-23377
1
cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite		201520159.0low000010
fk 866
1
benzamides;
N-acylpiperidine		201920195.0low000010
a 38503
3
201720205.3medium000030
parthenolide
2
sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		201720196.0medium000020
krn 633
3
201720205.3medium000030
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid
3
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720205.3high000030
gw 501516
3
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		201720205.3low000030
dolastatin 10
3
1,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent		201720205.3low000030
spc-839
3
201720205.3low000030
midostaurin
3
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		201720205.3low000030
valnemulin
2
201920204.5medium000020
nu 7026
3
organic heterotricyclic compound;
organooxygen compound		201720205.3low000030
osi 930
3
aromatic amide201720205.3medium000030
ticagrelor
3
aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor		201720205.3low000030
l 692585
3
peptide201720205.3high000030
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		201720205.3low000030
nnc 26-9100
3
aminopyridine201720205.3medium000030
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine
3
201720205.3high000030
tivozanib
3
aromatic ether201720205.3low000030
hki 272
1
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		201920195.0low000010
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
3
201720205.3medium000030
tae226
3
morpholines201720205.3low000030
gw0742
3
monocarboxylic acid201720205.3low000030
u 18666a
3
hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor		201720205.3low000030
sb 525334
3
quinoxaline derivative201720205.3low000030
bx795
3
ureas201720205.3low000030
azd 6244
3
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		201720205.3low000030
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
3
201720205.3medium000030
bay 61-3606
3
pyrimidines201720205.3medium000030
sd-208
3
201720205.3low000030
crenolanib
3
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		201720205.3low000030
cj 033466
3
201720205.3high000030
cc 401
3
pyrazoles;
ring assembly		201720205.3medium000030
PB28
3
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		201720205.3low000030
arterolane
3
201720205.3low000030
cariprazine
3
201720205.3low000030
krp-203
3
201720205.3high000030
regorafenib
3
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		201720205.3low000030
at 7867
3
monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		201720205.3high000030
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
3
pyrroloquinoline201720205.3high000030
ptc 124
3
oxadiazole;
ring assembly		201720205.3low000030
degrasyn
2
201920204.5low000020
bi 2536
3
201720205.3low000030
azd 1152
3
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		201720205.3medium000030
carfilzomib
3
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		201720205.3low000030
idelalisib
3
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		201720205.3low000030
motesanib
3
pyridinecarboxamide201720205.3medium000030
pf-562,271
3
indoles201720205.3medium000030
gliocladin c
3
201720205.3high000030
sb 706504
3
201720205.3high000030
ku-0060648
3
dibenzothiophenes201720205.3medium000030
bgt226
3
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201720205.3medium000030
arhalofenate
1
201520159.0low000010
n-desmethyldanofloxacin
3
201720205.3high000030
rabeprazole sodium
1
organic sodium salt201720177.0low000010
azd 1152-hqpa
2
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		201920204.5low000020
CDN1163
3
aromatic ether;
quinolines;
secondary carboxamide		SERCA activator201720205.3medium000030
gsk 269962a
3
201720205.3medium000030
pha 848125
3
201720205.3medium000030
nvp-bhg712
3
benzamides201720205.3medium000030
pf 04217903
3
quinolines201720205.3medium000030
amorfrutin a
1
stilbenoid201520159.0low000010
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
3
aromatic ketone201720205.3high000030
ph 797804
3
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720205.3low000030
srt1720
3
201720205.3low000030
purfalcamine
3
201720205.3high000030
bms 754807
3
pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		201720205.3low000030
ponatinib
3
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
quizartinib
3
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		201720205.3low000030
PP121
3
aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor		201720205.3medium000030
navitoclax
3
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		201720205.3low000030
gsk 650394
3
phenylpyridine201720205.3medium000030
dcc-2036
3
organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor201720205.3medium000030
cabozantinib
3
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
TAK-580
3
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor		201720205.3medium000030
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
3
chromones201720205.3high000030
pf 3758309
3
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720205.3low000030
(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		201920204.5low000020
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
3
aryl sulfide;
thienopyrimidine		201720205.3high000030
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
3
aryl sulfide;
thienopyrimidine		201720205.3high000030
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
3
aryl sulfide;
thienopyrimidine		201720205.3high000030
baricitinib
3
azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent		201720205.3low000030
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine
3
quinazolines201720205.3high000030
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
3
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720205.3medium000030
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
3
hydroxyquinoline201720205.3high000030
p505-15
3
201720205.3high000030
mrt67307
3
aromatic amine201720205.3medium000030
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide
3
piperazines201720205.3high000030
ribociclib
3
201720205.3low000030
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
3
aromatic ketone;
thienopyrimidine		201720205.3high000030
pha 793887
3
piperidinecarboxamide201720205.3high000030
gsk 2334470
1
indazoles201920195.0low000010
ml228 probe
3
1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator201720205.3high000030
pf-03882845
3
201720205.3high000030
jq1 compound
3
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		201720205.3low000030
pf-04620110
3
201720205.3medium000030
gsk525762a
3
benzodiazepine201720205.3low000030
birinapant
1
dipeptide201920195.0low000010
torin 1
3
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		201720205.3medium000030
abt-199
3
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		201720205.3low000030
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
3
ureas201720205.3medium000030
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide
3
(trifluoromethyl)benzenes201720205.3high000030
ncgc00242364
3
quinazolines201720205.3high000030
gsk1210151a
3
imidazoquinoline201720205.3low000030
hs-173
3
201720205.3high000030
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide
3
201720205.3high000030
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
2
benzamides;
N-acylpiperidine		201720205.5high000020
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
2
aminoquinoline201720205.5high000020
cudc-907
3
201720205.3low000030
methacycline
1
201920195.0low000010
methacycline monohydrochloride
2
201720205.5low000020
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid
3
quinolines201720205.3high000030
agi-5198
3
201720205.3low000030
cep-32496
3
201720205.3medium000030
epz004777
3
N-glycosyl compound201720205.3low000030
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
3
organonitrogen heterocyclic compound201720205.3medium000030
entecavir
3
benzamides;
N-acylpiperidine		201720205.3medium000030
gkt137831
3
201720205.3low000030
vx-509
3
201720205.3high000030
vx-970
3
sulfonamide201720205.3low000030
gs-9973
3
201720205.3high000030
amg 925
3
201720205.3high000030
gne-618
3
201720205.3high000030
g007-lk
3
201720205.3medium000030
volitinib
3
201720205.3high000030
ML355
3
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor		201720205.3high000030
acp-196
3
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		201720205.3low000030
gsk343
3
aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor		201720205.3low000030
agi-6780
3
201720205.3medium000030
khs101
3
201720205.3medium000030
cb-839
3
201720205.3low000030
gsk-j4
3
organonitrogen heterocyclic compound201720205.3low000030
pf-06424439
3
201720205.3high000030
etp-46464
3
201720205.3high000030
onc201
3
201720205.3low000030
kai407
3
201720205.3high000030
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine
3
201720205.3high000030
enasidenib
3
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		201720205.3low000030
oicr-9429
3
201720205.3medium000030
lly-507
3
201720205.3medium000030
at 9283
3
201720205.3medium000030
hypoxanthine
3
nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite201720205.3low000030
clozapine
3
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic		201720205.3low000030
1-hydroxyphenazine
3
phenazines201720205.3low000030
ro 24-7429
3
benzodiazepine201720205.3medium000030
nintedanib
3
201720205.3low000030
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide
3
catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor201720205.3high000030
ver 52296
3
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		201720205.3low000030
rvx 208
3
201720205.3low000030
bmn 673
3
201720205.3low000030
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Congenital Zika Syndrome0
1
202020204.0high000010
Disease Models, Animal0
1
202020204.0high000010
Zika Virus Infection0
1
202020204.0high000010

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019
Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3		2017