ceralasertib   Click here for help

GtoPdb Ligand ID: 9390

Synonyms: AZD-6738 | AZD6738
Compound class: Synthetic organic
Comment: Ceralasertib (AZD6738) is an orally available small molecule inhibitor of ATR serine/threonine kinase [1-2]. AZD6738 induces cell death and senescence in cancer cells in vitro and enhances the therapeutic efficacy of cisplatin in xenograft models. In vivo, combining AZD6738 with cisplatin destroys ATM-deficient lung cancer xenografts.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 116.23
Molecular weight 412.17
XLogP 2.83
No. Lipinski's rules broken 0
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Canonical SMILES CC1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)S(=O)(=N)C
Isomeric SMILES C[C@@H]1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)[S@@](=O)(=N)C
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10842 ceralasertib
Synonyms Click here for help
AZD-6738 | AZD6738
Database Links Click here for help
GtoPdb PubChem SID 328083492
PubChem CID 54761306
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UniChem Compound Search for chemical match using the InChIKey OHUHVTCQTUDPIJ-JYCIKRDWSA-N
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