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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).
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
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 anti-anaemic agent (CHEBI:75835)
vorinostat (CHEBI:45716) has role anti-HIV agent (CHEBI:64946)
vorinostat (CHEBI:45716) has role antineoplastic agent (CHEBI:35610)
vorinostat (CHEBI:45716) has role antipsychotic agent (CHEBI:35476)
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
vorinostatWHO MedNet
vorinostatWHO MedNet
vorinostatChemIDplus
vorinostatumWHO MedNet
Synonyms  Source
MK-0683ChEMBL
MK0683ChEMBL
NSC-701852ChEMBL
NSC-748799ChEMBL
NSC-759852ChEMBL
octanedioic acid hydroxyamide phenylamideChEBI
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