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CHEBI:45716 - vorinostat

Default Structure
ChEBI IDCHEBI:45716
ChEBI Namevorinostat
Stars
DefinitionA dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H20N2O3
Net Charge0
Average Mass264.325
Monoisotopic Mass264.14739
SMILESO=C(CCCCCCC(=O)Nc1ccccc1)NO
InChIInChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
InChIKeyWAEXFXRVDQXREF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vorinostat (CHEBI:45716) has functional parent aniline (CHEBI:17296)
vorinostat (CHEBI:45716) has functional parent hydroxylamine (CHEBI:15429)
vorinostat (CHEBI:45716) has functional parent suberic acid (CHEBI:9300)
vorinostat (CHEBI:45716) has role antineoplastic agent (CHEBI:35610)
vorinostat (CHEBI:45716) has role apoptosis inducer (CHEBI:68495)
vorinostat (CHEBI:45716) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
vorinostat (CHEBI:45716) is a dicarboxylic acid diamide (CHEBI:35779)
vorinostat (CHEBI:45716) is a hydroxamic acid (CHEBI:24650)
IUPAC Name 
N-hydroxy-N'-phenyloctanediamide
INNs  Source
vorinostatChemIDplus
vorinostatWHO MedNet
vorinostatWHO MedNet
vorinostatumWHO MedNet
Synonyms  Source
octanedioic acid hydroxyamide phenylamideChEBI
SAHAHMDB
SHHHMDB
Suberanilohydroxamic acidHMDB
suberoylanilide hydroxamic acidChEBI
Brand Name  Source
ZolinzaKEGG DRUG
Manual XrefsDatabases
4124DrugCentral
CN102641261Patent
D06320KEGG DRUG
DB02546DrugBank
HMDB0015568HMDB
KR20110045493Patent
LSM-3828LINCS
NZ592686Patent
SHHPDBeChem
US2011039937Patent
VorinostatWikipedia
WO2008106524Patent
Registry NumbersSources
Reaxys:7213017Reaxys
CAS:149647-78-9ChemIDplus
Citations