compound 35 [PMID: 22902653]

Ligand id: 8119

Name: compound 35 [PMID: 22902653]

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 131.02
Molecular weight 472.03
XLogP 2.57
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!)

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 8.1 pIC50 - 2
pIC50 8.1 (IC50 8x10-9 M) [2]
LIM domain kinase 1 Inhibitor Inhibition 7.5 pIC50 - 2
pIC50 7.5 (IC50 3x10-8 M) [2]
testis-specific kinase 1 Inhibitor Inhibition <4.5 pIC50 - 2
pIC50 <4.5 (IC50 >3x10-5 M) [2]
testis-specific kinase 2 Inhibitor Inhibition <4.5 pIC50 - 2
pIC50 <4.5 (IC50 >3x10-5 M) [2]