GSK583

Ligand id: 9134

Name: GSK583

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.12
Molecular weight 398.12
XLogP 4.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(5-fluoro-1H-indazol-3-yl)-6-(2-methylpropane-2-sulfonyl)quinolin-4-amine
Synonyms
GSK'583
Database Links
PubChem CID 67469084
RCSB PDB Ligand 6GD
Search Google for chemical match using the InChIKey XLOGLWKOHPIJLV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XLOGLWKOHPIJLV
Search UniChem for chemical match using the InChIKey XLOGLWKOHPIJLV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XLOGLWKOHPIJLV
SynPHARM 83541 (in complex with receptor interacting serine/threonine kinase 2)
Comments
GSK583 is a potent and selective next generation inhibitor of receptor interacting serine/threonine kinase 2 (RIP2 kinase) [2]. It is compound 27 in [2] and compound 89 claimed in patent WO2011140442 [1]. GSK583 can be used as a tool compound to investigate the role played by RIP2 kinase in NOD1 and NOD2 mediated pathology.