JAK3 inhibitor IV

Ligand id: 5994

Name: JAK3 inhibitor IV

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 331.19
XLogP 5.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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. Brown GR, Bamford AM, Bowyer J, James DS, Rankine N, Tang E, Torr V, Culbert EJ. (2000)
Naphthyl ketones: a new class of Janus kinase 3 inhibitors.
Bioorg. Med. Chem. Lett., 10 (6): 575-9. [PMID:10741557]
3. 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]
4. Lai TS, Liu Y, Tucker T, Daniel KR, Sane DC, Toone E, Burke JR, Strittmatter WJ, Greenberg CS. (2008)
Identification of chemical inhibitors to human tissue transglutaminase by screening existing drug libraries.
Chem. Biol., 15 (9): 969-78. [PMID:18804034]
5. Luo C, Laaja P. (2004)
Inhibitors of JAKs/STATs and the kinases: a possible new cluster of drugs.
Drug Discov. Today, 9 (6): 268-75. [PMID:15003245]