compound 24 [PMID: 23441572]

Ligand id: 8147

Name: compound 24 [PMID: 23441572]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 65.77
Molecular weight 532.22
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
Compound 24 inhibits wild type and common variants of Abl kinase with IC50 values < 1nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ABL proto-oncogene 1, non-receptor tyrosine kinase Hs Inhibitor Inhibition 9.3 pIC50 - 1
pIC50 9.3 (IC50 5x10-10 M) [1]
ABL proto-oncogene 2, non-receptor tyrosine kinase Hs Inhibitor Inhibition 8.7 – 9.0 pIC50 - 1
pIC50 8.7 – 9.0 (IC50 2x10-9 – 1x10-9 M) [1]