GSK429286A

Ligand id: 9356

Name: GSK429286A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 86.88
Molecular weight 432.12
XLogP 5.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
Synonyms
compound 15 [PMID: 17201405]
Database Links
BindingDB Ligand 14055
CAS Registry No. 864082-47-3 (source: PubChem)
ChEMBL Ligand CHEMBL375312
PubChem CID 11373846
Search Google for chemical match using the InChIKey OLIIUAHHAZEXEX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OLIIUAHHAZEXEX
Search UniChem for chemical match using the InChIKey OLIIUAHHAZEXEX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OLIIUAHHAZEXEX
Comments
GSK429286A is a selective small molecule tool inhibitor of Rho kinase 1 (ROCK1) [1].