compound 8h [PMID: 21561767]

Ligand id: 8170

Name: compound 8h [PMID: 21561767]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 102.73
Molecular weight 582.26
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Although compound 8h is reported as a BCR-Abl inhibitor it also has IC50s <1nM for the EPHA2 and RET kinases [1]. IC50s of 1-10nM are reported for many other kinases such as CDK2, EPHA3, EPHA7, FGFR1 and -2, VEGFRs 1-3, FMS, FLT3, LYN, PDGFRα and -β, TEC and Src [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ABL proto-oncogene 1, non-receptor tyrosine kinase Inhibitor Inhibition 9.7 pIC50 - 1
pIC50 9.7 (IC50 2x10-10 M) [1]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ret proto-oncogene Inhibitor Inhibition 9.7 pIC50 - 1
pIC50 9.7 (IC50 2x10-10 M) [1]
EPH receptor A2 Inhibitor Inhibition 9.2 pIC50 - 1
pIC50 9.2 (IC50 6x10-10 M) [1]
EPH receptor A3 Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.2x10-9 M) [1]
platelet derived growth factor receptor alpha Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.3x10-9 M) [1]
TEK receptor tyrosine kinase Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2.2x10-9 M) [1]
EPH receptor A7 Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.2x10-9 M) [1]