Ligand id: 9365

Name: CHIR-124

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 68.76
Molecular weight 419.15
XLogP 3.73
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
CHIR-124 is selective for CHK1 over cdk2/cyclin A, cdk4/cyclin D, and cdc2/cyclin B (>500-, 5000- and 1500-fold respectively). The compound shows synergistic activity with the topoisomerase 1 inhibitor camptothecin in tumour cells, accelerating cell death when compared to either compound alone [1]. Inhibits proliferation of MDA-MB-435 breast cancer cells with an EC50 of 80nM.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
checkpoint kinase 1 Hs Inhibitor Inhibition 9.5 pIC50 - 1
pIC50 9.5 (IC50 3.2x10-10 M) [1]