Ligand id: 5674

Name: CHIR-265

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 80.65
Molecular weight 518.13
XLogP 7.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Davis MI, Hunt JP, Herrgard S, Ciceri P, Wodicka LM, Pallares G, Hocker M, Treiber DK, Zarrinkar PP. (2011)
Comprehensive analysis of kinase inhibitor selectivity.
Nat. Biotechnol., 29 (11): 1046-51. [PMID:22037378]
2. Mordant P, Loriot Y, Leteur C, Calderaro J, Bourhis J, Wislez M, Soria JC, Deutsch E. (2010)
Dependence on phosphoinositide 3-kinase and RAS-RAF pathways drive the activity of RAF265, a novel RAF/VEGFR2 inhibitor, and RAD001 (Everolimus) in combination.
Mol. Cancer Ther., 9 (2): 358-68. [PMID:20124452]
3. Stuart D, Aardalen K, Venetsanakos E, Nagel T, Wallroth M, Batt D, Ramurthy S, Poon D, Faure M, Lorenzana E et al.. (2008)
RAF265 is a potent Raf kinase inhibitor with selective anti-proliferative activity in vitro and in vivo [Abstract].
AACR Meeting Abstracts Online ;99th AACR Annual Meeting-- Apr 12-16, 2008; San Diego, CA,: Abstract #4876.
4. Wodicka LM, Ciceri P, Davis MI, Hunt JP, Floyd M, Salerno S, Hua XH, Ford JM, Armstrong RC, Zarrinkar PP et al.. (2010)
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.
Chem. Biol., 17 (11): 1241-9. [PMID:21095574]