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

Classification
Compound class Synthetic organic
IUPAC Name
N-[5-[6-(2,6-dichloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide
Database Links
BindingDB Ligand 50390795
ChEMBL Ligand CHEMBL2070619
PubChem CID 58688563
Search Google for chemical match using the InChIKey XACSASLXEAYEEO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XACSASLXEAYEEO
Search UniChem for chemical match using the InChIKey XACSASLXEAYEEO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XACSASLXEAYEEO
Comments
Compound 35 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 [2]. Compound 35 exhibits selectivity for the LIMs over the testis-specific protein kinases (TESKs) [2].