AZD1390   Click here for help

GtoPdb Ligand ID: 11277

Compound class: Synthetic organic
Comment: AZD1390 is an oral, brain-penetrant ATM kinase inhibitor [1]. Structurally, AZD1390 is from the same chemical series as AZD0156, but is optimised to cross the blood-brain barrier. Mechanistically, blocking ATM disrupts DNA damage repair and sensitises cancer cells to radiotherapy. This induces G2 cell cycle arrest and the development of micronuclei, and ultimately leads to apoptosis.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES Fc1cc2ncc3c(c2cc1c1ccc(nc1)OCCCN1CCCCC1)n(C(C)C)c(=O)n3C
Isomeric SMILES Fc1cc2ncc3c(c2cc1c1ccc(nc1)OCCCN1CCCCC1)n(C(C)C)c(=O)n3C
InChI InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3
InChI Key VQSZIPCGAGVRRP-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel