compound 23 [PMID: 17600705]

Ligand id: 8146

Name: compound 23 [PMID: 17600705]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 138.61
Molecular weight 371.11
XLogP 2.08
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
Reported off-targets include Src family kinases Lck and Lyn, Syk and the Tec family kinase Txk [1]. We have tagged Lck as the compound's primary target as it is was the intended target of the medicinal chemistry study, but note that the off-targets are slightly more potently inhibited by compound 23.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TXK tyrosine kinase Inhibitor Inhibition 9.4 pIC50 - 1
pIC50 9.4 (IC50 4x10-10 M) [1]
LYN proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
spleen associated tyrosine kinase Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
LCK proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.5x10-9 M) [1]