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

No information available.
Mechanism Of Action and Pharmacodynamic Effects
LIM domain kinases and the related testis-specific protein kinases are known to phosphorylate the actin-binding protein cofilin [1,4,6]. This phosphorylation has an inhibitory effect on cofilin's interaction with F-actin and acts to depolymerise actin, having profound effects on the cytoskeleton [3,5]. LIM kinase inhibitors are being pursued as anti-cancer agents with effects on the invasiveness and metastatic capacity of tumour cells.