compound 31 [PMID: 22902653]

Ligand id: 8117

Name: compound 31 [PMID: 22902653]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 143.05
Molecular weight 461.16
XLogP 3.08
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
Off-targets include the testis-specific kinases TESK1 and TESK2 [2].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
LIM domain kinase 2 Inhibitor Inhibition 7.4 pIC50 - 2
pIC50 7.4 (IC50 3.8x10-8 M) [2]
LIM domain kinase 1 Inhibitor Inhibition 7.2 pIC50 - 2
pIC50 7.2 (IC50 5.8x10-8 M) [2]
testis-specific kinase 2 Inhibitor Inhibition 6.6 pIC50 - 2
pIC50 6.6 (IC50 2.52x10-7 M) [2]
testis-specific kinase 1 Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 4.55x10-7 M) [2]