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CHEBI:92223 - abexinostat

ChEBI IDCHEBI:92223
ChEBI Nameabexinostat
Stars
DefinitionA 1-benzofuran substituted by {2-[4-(hydroxycarbamoyl)phenoxy]ethyl}aminocarbonyl and (dimethylamino)methyl groups at positions 2 and 3, respectively. It is a potent pan-HDAC inhibitor whose major target is HDAC1 (Ki = 7 nM).
Last Modified19 June 2024
DownloadsMolfile
FormulaC21H23N3O5
Net Charge0
Average Mass397.431
Monoisotopic Mass397.16377
SMILESCN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12
InChIInChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMAUCONCHVWBMHK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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).
autophagy inducer  Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
Applications:
radiosensitizing agent  A drug that makes increases the sensitivity of tumour cells to radiation therapy.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
abexinostat (CHEBI:92223) has role antineoplastic agent (CHEBI:35610)
abexinostat (CHEBI:92223) has role apoptosis inducer (CHEBI:68495)
abexinostat (CHEBI:92223) has role autophagy inducer (CHEBI:138880)
abexinostat (CHEBI:92223) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
abexinostat (CHEBI:92223) has role radiosensitizing agent (CHEBI:132992)
abexinostat (CHEBI:92223) is a 1-benzofurans (CHEBI:38830)
abexinostat (CHEBI:92223) is a aromatic ether (CHEBI:35618)
abexinostat (CHEBI:92223) is a hydroxamic acid (CHEBI:24650)
abexinostat (CHEBI:92223) is a secondary carboxamide (CHEBI:140325)
abexinostat (CHEBI:92223) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide
INNs  Source
abexinostatWHO MedNet
abexinostatWHO MedNet
abexinostatWHO MedNet
abexinostatumWHO MedNet
Synonyms  Source
3-[(dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)-oxomethyl]phenoxy]ethyl]-2-benzofurancarboxamideChEBI
CRA 024781DrugBank
PZP-115891DrugBank
PCI-24781DrugBank
PZP115891DrugBank
PCI 24781DrugBank
Manual XrefsDatabases
LSM-2269LINCS
DB12565DrugBank
HMDB0256171HMDB
D10060KEGG DRUG
AbexinostatWikipedia
Registry NumbersSources
CAS:783355-60-2KEGG DRUG
Citations