JAK3 inhibitor VI   Click here for help

GtoPdb Ligand ID: 5995

Compound class: Synthetic organic
Comment: May be used experimentally in the methanesulfonic acid form which has PubChem CID 16760524.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.78
Molecular weight 287.11
XLogP 2.6
No. Lipinski's rules broken 0
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Canonical SMILES O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1
Isomeric SMILES O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1
InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat Biotechnol, 29 (11): 1039-45. [PMID:22037377]
2. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem J, 451 (2): 313-28. [PMID:23398362]