Ligand id: 9134

Name: GSK583

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.12
Molecular weight 398.12
XLogP 4.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bury JM et al.. (2011)
Amino-quinolines as kinase inhibitors.
Patent number: WO2011140442 A1. Assignee: Glaxo Group Limited. Priority date: 07/05/2010. Publication date: 10/11/2011.
2. Haile PA, Votta BJ, Marquis RW, Bury MJ, Mehlmann JF, Singhaus Jr R, Charnley AK, Lakdawala AS, Convery MA, Lipshutz DB et al.. (2016)
The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J. Med. Chem., 59 (10): 4867-80. [PMID:27109867]