compound 35 [PMID: 20684608]

Ligand id: 8209

Name: compound 35 [PMID: 20684608]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 91.51
Molecular weight 475.26
XLogP 3.04
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
Compound 35 is highly selective for ROCK2 compared to protein kinase A (PKA) [1]. In a selectivity panel of 442 kinases, 3μM compound 35 inhibited only seven kinases by >65% [1]; CLK1, CLK4, LATS2, MRCKβ, NDR1 (STK38), PI3Kβ and STK33.
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 >9.0 pIC50 - 1
pIC50 >9.0 (IC50 <1x10-9 M) [1]
Rho associated coiled-coil containing protein kinase 1 Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1x10-8 M) [1]
large tumor suppressor kinase 2 Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 3μM compound.
Serine/threonine kinase 38 Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 3μM compound.