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

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2006))
IUPAC Name
N-hydroxy-N'-phenyloctanediamide
International Nonproprietary Names
INN number INN
8661 vorinostat
Synonyms
SAHA | suberoylanilide hydroxamic acid | Zolinza®
Database Links
CAS Registry No. 149647-78-9
ChEMBL Ligand CHEMBL98
DrugBank Ligand DB02546
PubChem CID 5311
RCSB PDB Ligand SHH
Search Google for chemical match using the InChIKey WAEXFXRVDQXREF-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey WAEXFXRVDQXREF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WAEXFXRVDQXREF
SynPHARM 78885 (in complex with histone deacetylase 2)
78890 (in complex with histone deacetylase 8)
Wikipedia Vorinostat
Comments
Vorinostat inhibits Class I, II and IV histone deacetylases (our pages for HDACs are available using this link).