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CHEBI:94187 - givinostat

Default Structure
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:
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.
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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