vorinostat

Ligand id: 6852

Name: vorinostat

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 78.43
Molecular weight 264.15
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bradner JE, West N, Grachan ML, Greenberg EF, Haggarty SJ, Warnow T, Mazitschek R. (2010)
Chemical phylogenetics of histone deacetylases.
Nat. Chem. Biol.6 (3): 238-243. [PMID:20139990]
2. Wang H, Lim ZY, Zhou Y, Ng M, Lu T, Lee K, Sangthongpitag K, Goh KC, Wang X, Wu X et al.. (2010)
Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity.
Bioorg. Med. Chem. Lett.20 (11): 3314-21. [PMID:20451378]