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CHEBI:4460 - devazepide

ChEBI IDCHEBI:4460
ChEBI Namedevazepide
Stars
DefinitionAn indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders.
Last Modified25 February 2016
DownloadsMolfile
FormulaC25H20N4O2
Net Charge0
Average Mass408.461
Monoisotopic Mass408.15863
SMILESCN1C(=O)[C@@H](NC(=O)c2cc3ccccc3n2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
InChIKeyNFHRQQKPEBFUJK-HSZRJFAPSA-N
Wikipedia
Roles Classification
Biological Roles:
cholecystokinin antagonist  A hormone antagonist that inhibits the action of the peptide hormone cholecystokinin.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Applications:
cholecystokinin antagonist  A hormone antagonist that inhibits the action of the peptide hormone cholecystokinin.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
gastrointestinal drug  A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
devazepide (CHEBI:4460) has role antineoplastic agent (CHEBI:35610)
devazepide (CHEBI:4460) has role apoptosis inducer (CHEBI:68495)
devazepide (CHEBI:4460) has role cholecystokinin antagonist (CHEBI:73296)
devazepide (CHEBI:4460) has role gastrointestinal drug (CHEBI:55324)
devazepide (CHEBI:4460) is a 1,4-benzodiazepinone (CHEBI:35500)
devazepide (CHEBI:4460) is a indolecarboxamide (CHEBI:46921)
IUPAC Name 
N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
INNs  Source
devazepideKEGG DRUG
devazepidumChemIDplus
devazepidaChemIDplus
Synonyms  Source
MK-329KEGG COMPOUND
L 364718KEGG DRUG
(S)-N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)indole-2-carboxamideChemIDplus
3(S)-(-)-1,3-Dihydro-3-(2-indolecarbonylamino)-1-methyl-5-phenyl-2H-(1,4)benzodiazepin-2-oneChemIDplus
Manual XrefsDatabases
C11710KEGG COMPOUND
D02693KEGG DRUG
US5428031Patent
US5153191Patent
US2003139396Patent
US2003153592Patent
US4820834Patent
DevazepideWikipedia
LSM-2674LINCS
Registry NumbersSources
Reaxys:5156082Reaxys
CAS:103420-77-5KEGG COMPOUND
CAS:103420-77-5ChemIDplus
Citations