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CHEBI:233410 - Atuveciclib Racemate

Default Structure
ChEBI IDCHEBI:233410
ChEBI NameAtuveciclib Racemate
Stars
DefinitionAtuveciclib (BAY-1143572) is a potent and highly selective PTEFb/CDK9 inhibitor with IC50 values of 13 nM for CDK9/CycT and the ratio of IC50 values for CDK2/CDK9 is about 100. Outside the CDK family, It inhibits GSK3 kinase with IC50 values of 45 nM and 87 nM for GSK3a and GSK3b respectively.
Submitterlbonaobra
DownloadsMolfile
FormulaC18H18FN5O2S
Net Charge0
Average Mass387.440
Monoisotopic Mass387.11652
SMILESCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
InChIInChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)
InChIKeyACWKGTGIJRCOOM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Atuveciclib Racemate (CHEBI:233410) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
1414943-88-6SUBMITTER
4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amineSUBMITTER
BAY-1143572SUBMITTER
Registry NumbersSources
CAS:1414943-88-6SUBMITTER