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CHEBI:231335 - givinostat hydrochloride monohydrate

Default Structure
ChEBI IDCHEBI:231335
ChEBI Namegivinostat hydrochloride monohydrate
Stars
DefinitionThe monohydrate form of givinostat hydrochloride. It is a histone deacetylase inhibitor indicated for the treatment of Duchenne muscular dystrophy in patients 6 years of age and older.
Last Modified8 May 2024
SubmitterAdnan
DownloadsMolfile
FormulaC24H27N3O4.H2O.HCl
Net Charge0
Average Mass475.973
Monoisotopic Mass475.18740
SMILESCCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1.Cl.O
InChIInChI=1S/C24H27N3O4.ClH.H2O/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);1H;1H2
InChIKeyFKGKZBBDJSKCIS-UHFFFAOYSA-N
Roles Classification
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 hydrochloride monohydrate (CHEBI:231335) has part givinostat hydrochloride (CHEBI:231333)
givinostat hydrochloride monohydrate (CHEBI:231335) has role angiogenesis inhibitor (CHEBI:48422)
givinostat hydrochloride monohydrate (CHEBI:231335) has role anti-inflammatory agent (CHEBI:67079)
givinostat hydrochloride monohydrate (CHEBI:231335) has role antineoplastic agent (CHEBI:35610)
givinostat hydrochloride monohydrate (CHEBI:231335) has role apoptosis inducer (CHEBI:68495)
givinostat hydrochloride monohydrate (CHEBI:231335) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
givinostat hydrochloride monohydrate (CHEBI:231335) is a hydrate (CHEBI:35505)
IUPAC Name 
{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate hydrochloride hydrate
Synonyms  Source
[6-(diethylaminomethyl)naphthalen-2-yl]methyl[4(hydroxycarbamoyl)phenyl]carbamate hydrochloride monohydrateChEBI
{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate—hydrogen chloride—water (1/1/1)IUPAC
givinostat hydrochloride hydrateKEGG DRUG
Brand Name  Source
DuvyzatKEGG DRUG
Manual XrefsDatabases
D12743KEGG DRUG
DBSALT003496DrugBank
Registry NumbersSources
CAS:732302-99-7KEGG DRUG