compound 2 [PMID: 15546730]

Ligand id: 8136

Name: compound 2 [PMID: 15546730]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 108.04
Molecular weight 373.08
XLogP 3.68
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
This compound shows no selectivity against other Src-family kinases or Janus kinase 3 (JAK3), presumably because all of these kinases share a high level of homology in their ATP binding domains [1]. In contrast, compound 2 does not inhibit any of receptor tyrosine or serine/threonine kinases tested [1]. Note that we have mapped the IC50 values reported in [1] to human enzymes, although source species for the tested kinases is not specified in the article. Further Src-family kinase inhibitors are reported in [2].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
BLK proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
FGR proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition >9.0 pIC50 - 1
pIC50 >9.0 (IC50 <1x10-9 M) [1]
FYN proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
LCK proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
SRC proto-oncogene, non-receptor tyrosine kinase Inhibitor Inhibition >9.0 pIC50 - 1
pIC50 >9.0 (IC50 <1x10-9 M) [1]
HCK proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2x10-9 M) [1]
Janus kinase 3 Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]