AZD0156   Click here for help

GtoPdb Ligand ID: 9942

Synonyms: compound 64 [PMID: 29683659]
Compound class: Synthetic organic
Comment: AZD0156 is a potent and selective inhibitor of ATM serine/threonine kinase from AstraZeneca that is being developed for anti-cancer potential [1]. It potentiates the efficacy of irinotecan and olaparib in disease relevant mouse models and is currently undergoing clinical evaluation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 74.41
Molecular weight 461.24
XLogP 2.74
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCCOc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1C1CCOCC1)C)C
Isomeric SMILES CN(CCCOc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1C1CCOCC1)C)C
InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 64 [PMID: 29683659]
Database Links Click here for help
GtoPdb PubChem SID 363894236
PubChem CID 118502708
Search Google for chemical match using the InChIKey AOTRIQLYUAFVSC-UHFFFAOYSA-N
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UniChem Connectivity Search for chemical match using the InChIKey AOTRIQLYUAFVSC-UHFFFAOYSA-N