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
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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+
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2014))
IUPAC Name Click here for help
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
ChEMBL Ligand CHEMBL408513
DrugBank Ligand DB05015
GtoPdb PubChem SID 187051798
PubChem CID 6918638
Search Google for chemical match using the InChIKey NCNRHFGMJRPRSK-MDZDMXLPSA-N
Search Google for chemicals with the same backbone NCNRHFGMJRPRSK
Search PubMed clinical trials belinostat
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UniChem Compound Search for chemical match using the InChIKey NCNRHFGMJRPRSK-MDZDMXLPSA-N
UniChem Connectivity Search for chemical match using the InChIKey NCNRHFGMJRPRSK-MDZDMXLPSA-N
Wikipedia Belinostat