compound 14 [PMID: 19831390]

Ligand id: 8151

Name: compound 14 [PMID: 19831390]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.23
Molecular weight 452.11
XLogP 4.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 14 is equipotent for both LIMK isozymes, and is selective for LIMK1/2 compared to the Rho-associated protein kinases ROCK1 and -2 [1]. Topical application of compound 14 reduces intraocular pressure in vivo [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
LIM domain kinase 1 Hs Inhibitor Inhibition 9.3 pIC50 - 1
pIC50 9.3 (IC50 5x10-10 M) [1]
LIM domain kinase 2 Hs Inhibitor Inhibition 9.1 pIC50 - 1
pIC50 9.1 (IC50 9x10-10 M) [1]