Ligand id: 9390

Name: ceralasertib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 116.23
Molecular weight 412.17
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
In cellular assays AZD6738 inhibits ATR kinase-dependent CHK1 phosphorylation with an IC50 of 74nM [2]. In kinase screens of related PI3K, protein PI3K-like kinases and a wider panel of biochemical kinase assays, AZD6738 was found to inhibit PI3Kδ (IC50 6800nM), DYRK (IC50 10800nM) and PI3KC2G (20% inhibition at 1μM AZD6738).
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ATR serine/threonine kinase Hs Inhibitor Inhibition 9.0 pIC50 - 2
pIC50 9.0 (IC50 1x10-9 M) [2]
Description: Inhibition of isolated enzyme