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CHEBI:94187 - givinostat

ChEBI IDCHEBI:94187
ChEBI Namegivinostat
Stars
DefinitionA member of the class of naphthalenes that is naphthalene substituted by ({[4-(hydroxycarbamoyl)phenyl]carbamoyl}oxy)methyl and (diethylamino)methyl groups at positions 2 and 6, respectively. It is a histone deacetylase inhibitor indicated for individuals diagnosed with Duchenne muscular dystrophy.
Last Modified8 May 2024
DownloadsMolfile
FormulaC24H27N3O4
Net Charge0
Average Mass421.497
Monoisotopic Mass421.20016
SMILESCCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1
InChIInChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyYALNUENQHAQXEA-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).
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
givinostat (CHEBI:94187) has role angiogenesis inhibitor (CHEBI:48422)
givinostat (CHEBI:94187) has role anti-inflammatory agent (CHEBI:67079)
givinostat (CHEBI:94187) has role antineoplastic agent (CHEBI:35610)
givinostat (CHEBI:94187) has role apoptosis inducer (CHEBI:68495)
givinostat (CHEBI:94187) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
givinostat (CHEBI:94187) is a benzenes (CHEBI:22712)
givinostat (CHEBI:94187) is a carbamate ester (CHEBI:23003)
givinostat (CHEBI:94187) is a hydroxamic acid (CHEBI:24650)
givinostat (CHEBI:94187) is a naphthalenes (CHEBI:25477)
givinostat (CHEBI:94187) is a tertiary amino compound (CHEBI:50996)
givinostat (CHEBI:94187) is conjugate base of givinostat(1+) (CHEBI:231334)
Incoming Relation(s)
givinostat(1+) (CHEBI:231334) is conjugate acid of givinostat (CHEBI:94187)
IUPAC Name 
{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate
INNs  Source
givinostatWHO MedNet
givinostatWHO MedNet
givinostatWHO MedNet
givinostatumWHO MedNet
Synonyms  Source
(6-((diethylamino)methyl)naphthalen-2-yl)methyl (4-(hydroxycarbamoyl)phenyl)carbamateChEBI
[6-[(diethylamino)methyl]naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamateChEBI
gavinostatChEBI
ITF 2357ChEBI
ITF-2357DrugBank
ITF2357DrugBank
Manual XrefsDatabases
D12742KEGG DRUG
DB12645DrugBank
GivinostatWikipedia
HMDB0252732HMDB
LSM-4807LINCS
QCMPDBeChem
Registry NumbersSources
CAS:497833-27-9KEGG DRUG
Citations