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CHEBI:747627 - Prexasertib

Default Structure
ChEBI IDCHEBI:747627
ChEBI NamePrexasertib
Stars
DefinitionPrexasertib (LY2606368) is a selective, ATP-competitive second-generation checkpoint kinase 1 (CHK1) inhibitor with a Ki of 0.9 nM and an IC50 of <1 nM. Prexasertib inhibits CHK2 (IC50=8 nM) and RSK1 (IC50=9 nM). Prexasertib causes double-stranded DNA breakage and replication catastrophe resulting in apoptosis. Prexasertib shows potent anti-tumor activity.
Last Modified6 May 2026
Submitter
DownloadsMolfile
FormulaC18H19N7O2
Net Charge0
Average Mass365.397
Monoisotopic Mass365.16002
SMILESCOc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)nn1
InChIInChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
InChIKeyDOTGPNHGTYJDEP-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Prexasertib (CHEBI:747627) has role antineoplastic agent (CHEBI:35610)
Prexasertib (CHEBI:747627) is a organic molecular entity (CHEBI:50860)
INN  Source
prexasertibWHO MedNet
Synonyms  Source
LY-2606368ChEMBL
LY2606368CAS
Registry NumbersSources
CAS:1234015-52-1CAS
Citations