CHEBI:92223 - abexinostat

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ChEBI Name abexinostat
ChEBI ID CHEBI:92223
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H23N3O5
Net Charge 0
Average Mass 397.431
Monoisotopic Mass 397.16377
InChI InChI=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)
InChIKey MAUCONCHVWBMHK-UHFFFAOYSA-N
SMILES CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
radiosensitizing agent
A drug that makes increases the sensitivity of tumour cells to radiation therapy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
abexinostat WHO MedNet
abexinostat WHO MedNet
abexinostat WHO MedNet
abexinostatum WHO MedNet
Synonyms Sources
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide ChEBI
3-[(dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)-oxomethyl]phenoxy]ethyl]-2-benzofurancarboxamide ChEBI
3-[(dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide ChEBI
CRA 024781 DrugBank
CRA 24781 DrugBank
CRA-024781 DrugBank
PCI 24781 DrugBank
PCI-24781 DrugBank
PZP-115891 DrugBank
PZP115891 DrugBank
S-78454 ChEBI
S78454 ChEBI
Manual Xrefs Databases
Abexinostat Wikipedia
D10060 KEGG DRUG
DB12565 DrugBank
HMDB0256171 HMDB
LSM-2269 LINCS
View more database links
Registry Number Type Source
783355-60-2 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
19 June 2024