CHEBI:45716 - vorinostat

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ChEBI Name vorinostat
ChEBI ID CHEBI:45716
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H20N2O3
Net Charge 0
Average Mass 264.32020
Monoisotopic Mass 264.147
InChI InChI=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)
InChIKey WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Roles Classification
Biological Role(s): 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).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
vorinostat WHO MedNet
vorinostat WHO MedNet
vorinostat ChemIDplus
vorinostatum WHO MedNet
Synonyms Sources
octanedioic acid hydroxyamide phenylamide ChEBI
SAHA HMDB
SHH HMDB
Suberanilohydroxamic acid HMDB
suberoylanilide hydroxamic acid ChEBI
Brand Name Source
Zolinza KEGG DRUG
Manual Xrefs Databases
4124 DrugCentral
CN102641261 Patent
D06320 KEGG DRUG
DB02546 DrugBank
HMDB0015568 HMDB
KR20110045493 Patent
LSM-3828 LINCS
NZ592686 Patent
SHH PDBeChem
US2011039937 Patent
Vorinostat Wikipedia
WO2008106524 Patent
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Registry Numbers Types Sources
149647-78-9 CAS Registry Number ChemIDplus
7213017 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21657958 PubMed citation Europe PMC
22887890 PubMed citation Europe PMC
23320102 PubMed citation Europe PMC
23348693 PubMed citation Europe PMC
23708756 PubMed citation Europe PMC
23758082 PubMed citation Europe PMC
23820962 PubMed citation Europe PMC
23864881 PubMed citation Europe PMC
Last Modified
22 February 2017