AZD7648   Click here for help

GtoPdb Ligand ID: 10601

Synonyms: AZD-7648 | compound 16 [PMID: 31851518]
PDB Ligand
Compound class: Synthetic organic
Comment: AZD7648 is a selective inhibitor of DNA-dependent protein kinase (DNA-PK) [1]. DNA-PK is responsible for recognising and repairing double-strand DNA breaks in damaged DNA, and is a cancer drug target. AZD7648 is orally bioavailable.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 104.16
Molecular weight 380.17
XLogP 0.4
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
Isomeric SMILES Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
InChI InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)
1. Goldberg FW, Finlay MRV, Ting AKT, Beattie D, Lamont GM, Fallan C, Wrigley GL, Schimpl M, Howard MR, Williamson B et al.. (2020)
The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J Med Chem, 63 (7): 3461-3471. [PMID:31851518]