Bcr-abl inhibitor GNF-2

Ligand id: 5935

Name: Bcr-abl inhibitor GNF-2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 90.13
Molecular weight 374.1
XLogP 4.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Adri├ín FJ, Ding Q, Sim T, Velentza A, Sloan C, Liu Y, Zhang G, Hur W, Ding S, Manley P et al.. (2006)
Allosteric inhibitors of Bcr-abl-dependent cell proliferation.
Nat. Chem. Biol.2 (2): 95-102. [PMID:16415863]
2. 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]
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]