AZD9574   Click here for help

GtoPdb Ligand ID: 11946

Synonyms: AZD-9574 | example 20 [WO2021260092A1]
Compound class: Synthetic organic
Comment: AZD9574 is a CNS penetrant PARP1 selective inhibitor. Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting. It was reported that it had shown efficacy in an intracranial BRCA1m MDA-MB-436 xenograft model. AZD9574's chemical structure is claimed in AstraZeneca's patent WO2021260092A1 [1] and its substructure is very similar to the published non-CNS penetrant PARP1 selective inhibitor saruparib, but with a couple of methyl groups substituted by fluorines.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 94.22
Molecular weight 428.18
XLogP 1.66
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)c1ccc(c(n1)F)N1CCN(CC1)Cc1ccc2c(c1F)[nH]c(=O)c(n2)C
Isomeric SMILES CNC(=O)c1nc(F)c(cc1)N1CCN(Cc2c(F)c3c(cc2)nc(C)c(=O)[nH]3)CC1
InChI InChI=1S/C21H22F2N6O2/c1-12-20(30)27-18-14(25-12)4-3-13(17(18)22)11-28-7-9-29(10-8-28)16-6-5-15(21(31)24-2)26-19(16)23/h3-6H,7-11H2,1-2H3,(H,24,31)(H,27,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZD-9574 | example 20 [WO2021260092A1]
Database Links Click here for help
GtoPdb PubChem SID 461663501
PubChem CID 162524593
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