CHEBI:45716 - vorinostat

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.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
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).
Applications:
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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