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)
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Molecular structure representations generated using Open Babel