belinostat   Click here for help

GtoPdb Ligand ID: 7496

Synonyms: Beleodaq® | PXD-101 | PXD101
Approved drug PDB Ligand
belinostat is an approved drug (FDA (2014))
Compound class: Synthetic organic
Comment: Belinostat is a pan-histone deacetylase (HDAC) inhibitor [1,3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 103.88
Molecular weight 318.07
XLogP 1.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC(=O)C=Cc1cccc(c1)S(=O)(=O)Nc1ccccc1
Isomeric SMILES ONC(=O)/C=C/c1cccc(c1)S(=O)(=O)Nc1ccccc1
InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
InChI Key NCNRHFGMJRPRSK-MDZDMXLPSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2014))
IUPAC Name Click here for help
(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
International Nonproprietary Names Click here for help
INN number INN
8823 belinostat
Synonyms Click here for help
Beleodaq® | PXD-101 | PXD101
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9679789
Reactome Reaction Reactome logo R-HSA-9679787
Other databases
CAS Registry No. 414864-00-9
ChEBI CHEBI:61076
ChEMBL Ligand CHEMBL408513
DrugBank Ligand DB05015
GtoPdb PubChem SID 187051798
PubChem CID 6918638
RCSB PDB Ligand 5OG
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Wikipedia Belinostat