Ligand id: 5893

Name: vemurafenib

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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 100.3
Molecular weight 489.07
XLogP 5.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. FDA. 
FDA granted approval to vemurafenib for Erdheim-Chester Disease.
Accessed on 08/11/2017. Modified on 08/11/2017.,
2. Peng SB, Henry JR, Kaufman MD, Lu WP, Smith BD, Vogeti S, Rutkoski TJ, Wise S, Chun L, Zhang Y et al.. (2015)
Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28 (3): 384-98. [PMID:26343583]
3. Wang X, Kim J. (2012)
Conformation-specific effects of Raf kinase inhibitors.
J. Med. Chem., 55 (17): 7332-41. [PMID:22808911]