GSK429286A

Ligand id: 9356

Name: GSK429286A

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 86.88
Molecular weight 432.12
XLogP 3.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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

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]
Comments
GSK429286A is a selective small molecule tool inhibitor of Rho kinase 1 (ROCK1) [1].
Database Links
BindingDB Ligand 14055
CAS Registry No. 864082-47-3 (source: PubChem)
ChEMBL Ligand CHEMBL375312
GtoPdb PubChem SID 328083458
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

Product suppliers

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Tocris
GSK 429286
Cat. No. 3726