Compounds > as 601245
Page last updated: 2024-11-12

as 601245

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Description

1,3-benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile: a c-Jun NH2-terminal protein kinase inhibitor with neuroprotective activity; also an NSAID [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID10109823
CHEMBL ID406703
CHEBI ID91345
SCHEMBL ID186278
MeSH IDM0472077

Synonyms (40)

Synonym
as601245
jn5 ,
1,3-benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
as 601245
as-601245
CHEMBL406703
[3h-benzothiazol-(2z)-ylidene]-[2-(2-pyridin-3-yl-ethylamino)-pyrimidin-4-yl]-acetonitrile
bdbm50169959
2-(benzo[d]thiazol-2(3h)-ylidene)-2-(2-(2-(pyridin-3-yl)ethylamino)pyrimidin-4-yl)acetonitrile
HMS3265H02
HMS3265G02
HMS3265H01
HMS3265G01
NCGC00346953-01
345987-15-7
BRD-A60245366-001-01-1
2-benzothiazoleacetonitrile, .alpha.-(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)-
y9a2n9o85g ,
2-benzothiazoleacetonitrile, alpha-(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)-
unii-y9a2n9o85g
SCHEMBL186278
CS-4974
HY-11010
AKOS026750437
EX-A634
2-(benzo[d]thiazol-2-yl)-2-(2-((2-(pyridin-3-yl)ethyl)amino)pyrimidin-4-yl)acetonitrile
CHEBI:91345
mfcd07772196
(z)-2-(benzo[d]thiazol-2(3h)-ylidene)-2-(2-((2-(pyridin-3-yl)ethyl)amino)pyrimidin-4-yl)acetonitrile
FT-0761897
Q27163222
BS-16634
2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile
HMS3265O01
as-601245; as 601245
BCP32871
A912253
VNA98715
DTXSID401026023
Z3064248397

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)		0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzothiazoles
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Fumarate hydrataseHomo sapiens (human)Potency33.17340.00308.794948.0869AID1347053
PPM1D proteinHomo sapiens (human)Potency14.74030.00529.466132.9993AID1347411
EWS/FLI fusion proteinHomo sapiens (human)Potency17.43680.001310.157742.8575AID1259252; AID1259253; AID1259255; AID1259256
polyproteinZika virusPotency33.17340.00308.794948.0869AID1347053
Interferon betaHomo sapiens (human)Potency14.74030.00339.158239.8107AID1347411
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Mitogen-activated protein kinase 8Homo sapiens (human)IC50 (µMol)0.14670.00201.01735.4200AID1799705
Mitogen-activated protein kinase 9Homo sapiens (human)IC50 (µMol)0.14670.00500.74755.2000AID1799705
Mitogen-activated protein kinase 10Homo sapiens (human)IC50 (µMol)0.14670.00201.703510.0000AID1799705
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (72)

Processvia Protein(s)Taxonomy
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
JUN phosphorylationMitogen-activated protein kinase 8Homo sapiens (human)
response to UVMitogen-activated protein kinase 8Homo sapiens (human)
negative regulation of apoptotic processMitogen-activated protein kinase 8Homo sapiens (human)
cellular response to lipopolysaccharideMitogen-activated protein kinase 8Homo sapiens (human)
protein phosphorylationMitogen-activated protein kinase 8Homo sapiens (human)
response to oxidative stressMitogen-activated protein kinase 8Homo sapiens (human)
JNK cascadeMitogen-activated protein kinase 8Homo sapiens (human)
JUN phosphorylationMitogen-activated protein kinase 8Homo sapiens (human)
positive regulation of gene expressionMitogen-activated protein kinase 8Homo sapiens (human)
regulation of macroautophagyMitogen-activated protein kinase 8Homo sapiens (human)
peptidyl-serine phosphorylationMitogen-activated protein kinase 8Homo sapiens (human)
peptidyl-threonine phosphorylationMitogen-activated protein kinase 8Homo sapiens (human)
positive regulation of cyclase activityMitogen-activated protein kinase 8Homo sapiens (human)
positive regulation of cell killingMitogen-activated protein kinase 8Homo sapiens (human)
negative regulation of protein bindingMitogen-activated protein kinase 8Homo sapiens (human)
regulation of protein localizationMitogen-activated protein kinase 8Homo sapiens (human)
cellular response to amino acid starvationMitogen-activated protein kinase 8Homo sapiens (human)
cellular response to oxidative stressMitogen-activated protein kinase 8Homo sapiens (human)
cellular response to reactive oxygen speciesMitogen-activated protein kinase 8Homo sapiens (human)
Fc-epsilon receptor signaling pathwayMitogen-activated protein kinase 8Homo sapiens (human)
regulation of circadian rhythmMitogen-activated protein kinase 8Homo sapiens (human)
positive regulation of apoptotic processMitogen-activated protein kinase 8Homo sapiens (human)
negative regulation of apoptotic processMitogen-activated protein kinase 8Homo sapiens (human)
rhythmic processMitogen-activated protein kinase 8Homo sapiens (human)
positive regulation of protein metabolic processMitogen-activated protein kinase 8Homo sapiens (human)
stress-activated MAPK cascadeMitogen-activated protein kinase 8Homo sapiens (human)
cellular response to mechanical stimulusMitogen-activated protein kinase 8Homo sapiens (human)
cellular response to cadmium ionMitogen-activated protein kinase 8Homo sapiens (human)
cellular senescenceMitogen-activated protein kinase 8Homo sapiens (human)
energy homeostasisMitogen-activated protein kinase 8Homo sapiens (human)
positive regulation of NLRP3 inflammasome complex assemblyMitogen-activated protein kinase 8Homo sapiens (human)
response to mechanical stimulusMitogen-activated protein kinase 8Homo sapiens (human)
positive regulation of establishment of protein localization to mitochondrionMitogen-activated protein kinase 8Homo sapiens (human)
protein phosphorylationMitogen-activated protein kinase 9Homo sapiens (human)
JNK cascadeMitogen-activated protein kinase 9Homo sapiens (human)
positive regulation of gene expressionMitogen-activated protein kinase 9Homo sapiens (human)
positive regulation of macrophage derived foam cell differentiationMitogen-activated protein kinase 9Homo sapiens (human)
positive regulation of protein ubiquitinationMitogen-activated protein kinase 9Homo sapiens (human)
positive regulation of proteasomal ubiquitin-dependent protein catabolic processMitogen-activated protein kinase 9Homo sapiens (human)
cellular response to reactive oxygen speciesMitogen-activated protein kinase 9Homo sapiens (human)
Fc-epsilon receptor signaling pathwayMitogen-activated protein kinase 9Homo sapiens (human)
regulation of circadian rhythmMitogen-activated protein kinase 9Homo sapiens (human)
rhythmic processMitogen-activated protein kinase 9Homo sapiens (human)
modulation of chemical synaptic transmissionMitogen-activated protein kinase 9Homo sapiens (human)
protein localization to tricellular tight junctionMitogen-activated protein kinase 9Homo sapiens (human)
cellular response to cadmium ionMitogen-activated protein kinase 9Homo sapiens (human)
positive regulation of podosome assemblyMitogen-activated protein kinase 9Homo sapiens (human)
cellular senescenceMitogen-activated protein kinase 9Homo sapiens (human)
inflammatory response to woundingMitogen-activated protein kinase 9Homo sapiens (human)
apoptotic signaling pathwayMitogen-activated protein kinase 9Homo sapiens (human)
positive regulation of cytokine production involved in inflammatory responseMitogen-activated protein kinase 9Homo sapiens (human)
positive regulation of apoptotic signaling pathwayMitogen-activated protein kinase 9Homo sapiens (human)
protein phosphorylationMitogen-activated protein kinase 10Homo sapiens (human)
signal transductionMitogen-activated protein kinase 10Homo sapiens (human)
JNK cascadeMitogen-activated protein kinase 10Homo sapiens (human)
response to light stimulusMitogen-activated protein kinase 10Homo sapiens (human)
Fc-epsilon receptor signaling pathwayMitogen-activated protein kinase 10Homo sapiens (human)
regulation of circadian rhythmMitogen-activated protein kinase 10Homo sapiens (human)
rhythmic processMitogen-activated protein kinase 10Homo sapiens (human)
cellular senescenceMitogen-activated protein kinase 10Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (16)

Processvia Protein(s)Taxonomy
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
protein serine/threonine kinase activityMitogen-activated protein kinase 8Homo sapiens (human)
JUN kinase activityMitogen-activated protein kinase 8Homo sapiens (human)
protein bindingMitogen-activated protein kinase 8Homo sapiens (human)
ATP bindingMitogen-activated protein kinase 8Homo sapiens (human)
enzyme bindingMitogen-activated protein kinase 8Homo sapiens (human)
protein phosphatase bindingMitogen-activated protein kinase 8Homo sapiens (human)
histone deacetylase regulator activityMitogen-activated protein kinase 8Homo sapiens (human)
histone deacetylase bindingMitogen-activated protein kinase 8Homo sapiens (human)
protein serine kinase activityMitogen-activated protein kinase 8Homo sapiens (human)
protein serine/threonine kinase bindingMitogen-activated protein kinase 8Homo sapiens (human)
protein serine/threonine kinase activityMitogen-activated protein kinase 9Homo sapiens (human)
JUN kinase activityMitogen-activated protein kinase 9Homo sapiens (human)
protein serine/threonine/tyrosine kinase activityMitogen-activated protein kinase 9Homo sapiens (human)
protein bindingMitogen-activated protein kinase 9Homo sapiens (human)
ATP bindingMitogen-activated protein kinase 9Homo sapiens (human)
protein serine kinase activityMitogen-activated protein kinase 9Homo sapiens (human)
JUN kinase activityMitogen-activated protein kinase 10Homo sapiens (human)
MAP kinase kinase activityMitogen-activated protein kinase 10Homo sapiens (human)
protein bindingMitogen-activated protein kinase 10Homo sapiens (human)
ATP bindingMitogen-activated protein kinase 10Homo sapiens (human)
protein serine kinase activityMitogen-activated protein kinase 10Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (13)

Processvia Protein(s)Taxonomy
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
cytoplasmMitogen-activated protein kinase 8Homo sapiens (human)
nucleusMitogen-activated protein kinase 8Homo sapiens (human)
nucleoplasmMitogen-activated protein kinase 8Homo sapiens (human)
cytosolMitogen-activated protein kinase 8Homo sapiens (human)
axonMitogen-activated protein kinase 8Homo sapiens (human)
synapseMitogen-activated protein kinase 8Homo sapiens (human)
basal dendriteMitogen-activated protein kinase 8Homo sapiens (human)
nucleusMitogen-activated protein kinase 8Homo sapiens (human)
nucleoplasmMitogen-activated protein kinase 9Homo sapiens (human)
mitochondrionMitogen-activated protein kinase 9Homo sapiens (human)
cytosolMitogen-activated protein kinase 9Homo sapiens (human)
plasma membraneMitogen-activated protein kinase 9Homo sapiens (human)
nuclear speckMitogen-activated protein kinase 9Homo sapiens (human)
Schaffer collateral - CA1 synapseMitogen-activated protein kinase 9Homo sapiens (human)
cytoplasmMitogen-activated protein kinase 9Homo sapiens (human)
nucleusMitogen-activated protein kinase 9Homo sapiens (human)
nucleoplasmMitogen-activated protein kinase 10Homo sapiens (human)
cytoplasmMitogen-activated protein kinase 10Homo sapiens (human)
mitochondrionMitogen-activated protein kinase 10Homo sapiens (human)
cytosolMitogen-activated protein kinase 10Homo sapiens (human)
plasma membraneMitogen-activated protein kinase 10Homo sapiens (human)
nucleusMitogen-activated protein kinase 10Homo sapiens (human)
cytoplasmMitogen-activated protein kinase 10Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (31)

Assay IDTitleYearJournalArticle
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1799705JNK Kinase Assay from Article 10.1016/j.chembiol.2011.11.010: \\Discovery of potent and selective covalent inhibitors of JNK.\\2012Chemistry & biology, Jan-27, Volume: 19, Issue:1
Discovery of potent and selective covalent inhibitors of JNK.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (27)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's9 (33.33)29.6817
2010's12 (44.44)24.3611
2020's6 (22.22)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.37

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index11.37 (24.57)
Research Supply Index3.33 (2.92)
Research Growth Index4.71 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.37)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (7.41%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other25 (92.59%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
pyridoxine
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).		2.0610hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.		2.0610methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
chelerythrine
chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.		2.0610benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
staurosporine aglycone
staurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor		3.1210
pd 169316
2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitor		2.0610imidazoles
pifithrin
pifithrin: a tetrahydrobenzothiazol; inhibitor of P53 that protects mice from the side effects of cancer therapy; structure in first source		2.0610aromatic ketone
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.		2.0510glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
egtazic acid
Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.		2.0610diether;
tertiary amino compound;
tetracarboxylic acid		chelator
quinoxalines
quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.		3.2510mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
4-bromophenacyl bromide
4-bromophenacyl bromide: phospholipidase A(2) inhibitor; structure		2.0610
pyrazolanthrone
pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source. anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.		5.0670anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
thiazoles
[no description available]		4.22501,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
aminoacetonitrile
Aminoacetonitrile: Cyanomethylamine.		2.0510
rosiglitazone
[no description available]		2.0710aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
fibrinogen
Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.		2.0710iditolfungal metabolite
celastrol
[no description available]		2.1510monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
cariporide
cariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source		2.0410
ouabain
Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.		2.041011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
[no description available]		2.0710naphthalenecarboxamide
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester
[no description available]		2.0610
ginsenosides
ginsenoside : Triterpenoid saponins with a dammarane-like skeleton originally isolated from ginseng (Panax) species. Use of the term has been extended to include semi-synthetic derivatives.		3.2510
rottlerin
rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.		2.0610aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
lysophosphatidylcholines
lysophosphatidylcholine : An acylglycerophosphocholine resulting from partial hydrolysis of a phosphatidylcholine, which removes one of the fatty acyl groups. The structure is depicted in the image where R1 = acyl, R2 = H or where R1 = H, R2 = acyl.		2.06101-O-acyl-sn-glycero-3-phosphocholine
sl 327
SL 327: a MEK inhibitor. SL-327 : A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2.		2.0510
3,9-bis((ethylthio)methyl)-k-252a
3,9-bis((ethylthio)methyl)-K-252a: RN given for (9S-(9alpha,10beta,12alpha))-isomer; mixed lineage kinase inhibitor, neuroprotective agent, and neurotrophic agent derived from K-252a; structure in first source		3.1210
cytochrome c-t
Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.		2.0210
ConditionIndicatedRelationship StrengthStudiesTrials
Congenital Zika Syndrome
[description not available]		02.2510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.4820
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510
Cancer of Granulosa Cells
[description not available]		02.1710
Cancer of Ovary
[description not available]		02.1710
Ovarian Neoplasms
Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.		02.1710
Cerebral Ischemia
[description not available]		03.6630
Injury, Ischemia-Reperfusion
[description not available]		03.3820
Brain Ischemia
Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.		03.6630
Reperfusion Injury
Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.		03.3820
Anoxia-Ischemia, Brain
[description not available]		02.1110
Hypoxia-Ischemia, Brain
A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.		02.1110
Cardiac Diseases
[description not available]		02.1510
Heart Diseases
Pathological conditions involving the HEART including its structural and functional abnormalities.		02.1510
Alcohol Drinking
Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.		02.0510
Leukemia, Lymphoblastic, Acute, T Cell
[description not available]		02.0510
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma
A leukemia/lymphoma found predominately in children and young adults and characterized LYMPHADENOPATHY and THYMUS GLAND involvement. It most frequently presents as a lymphoma, but a leukemic progression in the bone marrow is common.		02.0510
Breast Cancer
[description not available]		02.0610
Breast Neoplasms
Tumors or cancer of the human BREAST.		02.0610
Cancer of Colon
[description not available]		02.0710
Colonic Neoplasms
Tumors or cancer of the COLON.		02.0710
Coronary Heart Disease
[description not available]		02.0210
Cardiovascular Stroke
[description not available]		02.0210
Injury, Myocardial Reperfusion
[description not available]		02.0210
Anesthesia
A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.		02.0210
Coronary Disease
An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels.		02.0210
Myocardial Infarction
NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).		02.0210
Anterior Circulation Transient Ischemic Attack
[description not available]		02.0210
Ischemic Attack, Transient
Brief reversible episodes of focal, nonconvulsive ischemic dysfunction of the brain having a duration of less than 24 hours, and usually less than one hour, caused by transient thrombotic or embolic blood vessel occlusion or stenosis. Events may be classified by arterial distribution, temporal pattern, or etiology (e.g., embolic vs. thrombotic). (From Adams et al., Principles of Neurology, 6th ed, pp814-6)		02.0210
Adjuvant Arthritis
[description not available]		02.0210
Cognition Disorders
Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.		02.0410