CHEBI:231342 - ceralasertib

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ChEBI Name ceralasertib
ChEBI ID CHEBI:231342
Definition Ceralasertib is an orally available morpholino-pyrimidine-based inhibitor of ataxia telangiectasia and rad3 related (ATR) kinase, with potential antineoplastic activity. Upon oral administration, Ceralasertib selectively inhibits ATR activity by blocking the downstream phosphorylation of the serine/threonine protein kinase CHK1. This prevents ATR-mediated signaling, and results in the inhibition of DNA damage checkpoint activation, disruption of DNA damage repair, and the induction of tumor cell apoptosis.
Stars This entity has been manually annotated by a third party.
Submitter Delphine Zhou
Supplier Information
Download Molfile XML SDF
Formula C20H24N6O2S
Net Charge 0
Average Mass 412.510
Monoisotopic Mass 412.16815
InChI InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1
InChIKey OHUHVTCQTUDPIJ-JYCIKRDWSA-N
SMILES C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4
ChEBI Ontology
Outgoing ceralasertib (CHEBI:231342) is a organic molecular entity (CHEBI:50860)
IUPAC Name
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane
Synonyms Sources
AZD 6738 SUBMITTER
AZD6738 SUBMITTER
Registry Number Type Source
1352226-88-0 CAS Registry Number SUBMITTER