CHEBI:94187 - givinostat

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ChEBI Name givinostat
ChEBI ID CHEBI:94187
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H27N3O4
Net Charge 0
Average Mass 421.497
Monoisotopic Mass 421.20016
InChI InChI=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)
InChIKey YALNUENQHAQXEA-UHFFFAOYSA-N
SMILES CCN(CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2
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.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
givinostat WHO MedNet
givinostat WHO MedNet
givinostat WHO MedNet
givinostatum WHO MedNet
Synonyms Sources
(6-((diethylamino)methyl)naphthalen-2-yl)methyl (4-(hydroxycarbamoyl)phenyl)carbamate ChEBI
[6-[(diethylamino)methyl]naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate ChEBI
gavinostat ChEBI
ITF 2357 ChEBI
ITF-2357 DrugBank
ITF2357 DrugBank
Manual Xrefs Databases
D12742 KEGG DRUG
DB12645 DrugBank
Givinostat Wikipedia
HMDB0252732 HMDB
LSM-4807 LINCS
QCM PDBeChem
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Registry Number Type Source
497833-27-9 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
08 May 2024