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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
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
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
ATM serine/threonine kinase Hs Inhibitor Inhibition 10.1 pIC50 - 1
pIC50 10.1 (IC50 7.8x10-11 M) [1]
Description: Determined in a cell based assay.