compound 22 [PMID: 20462760]

Ligand id: 8205

Name: compound 22 [PMID: 20462760]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 70.23
Molecular weight 367.11
XLogP 4.09
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
In a selectivity profile screen compound 22 inhibits many other kinases by >90%, albeit using 3μM compound [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Rho associated coiled-coil containing protein kinase 2 Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.9x10-8 M) [1]
Rho associated coiled-coil containing protein kinase 1 Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.9x10-8 M) [1]
NIMA related kinase 6 Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 3μM compound.
NIMA related kinase 7 Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 3μM compound.