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CHEBI:231352 - resminostat

ChEBI IDCHEBI:231352
ChEBI Nameresminostat
Stars
DefinitionAn enamide resulting from the formal condensation of the carboxy group of (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]prop-2-enoic acid with the amino group of hydroxylamine. It is an orally bioavailable inhibitor of histone deacetylases with potential antineoplastic activity.
Last Modified24 May 2024
Submitterdelphine
DownloadsMolfile
FormulaC16H19N3O4S
Net Charge0
Average Mass349.412
Monoisotopic Mass349.10963
SMILESCN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1
InChIInChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
InChIKeyFECGNJPYVFEKOD-VMPITWQZSA-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).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
resminostat (CHEBI:231352) has role antineoplastic agent (CHEBI:35610)
resminostat (CHEBI:231352) has role apoptosis inducer (CHEBI:68495)
resminostat (CHEBI:231352) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
resminostat (CHEBI:231352) is a benzenes (CHEBI:22712)
resminostat (CHEBI:231352) is a enamide (CHEBI:51751)
resminostat (CHEBI:231352) is a hydroxamic acid (CHEBI:24650)
resminostat (CHEBI:231352) is a pyrroles (CHEBI:26455)
resminostat (CHEBI:231352) is a sulfonamide (CHEBI:35358)
resminostat (CHEBI:231352) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
Synonyms  Source
RAS-2410DrugBank
BYK-408740DrugBank
RAS 2410ChEBI
RAS2410DrugBank
4SC-201DrugBank
BYK408740DrugBank
Manual XrefsDatabases
DB12392DrugBank
P7DPDBeChem
ResminostatWikipedia
Registry NumbersSources
CAS:864814-88-0SUBMITTER
Citations