EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121030 - 4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Default Structure
ChEBI IDCHEBI:121030
ChEBI Name4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Stars
DownloadsMolfile
FormulaC23H18ClFN2O2
Net Charge0
Average Mass408.860
Monoisotopic Mass408.10408
SMILESCc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1c(F)cccc1Cl)CC(=O)N2
InChIInChI=1S/C23H18ClFN2O2/c1-14-10-11-19-16(12-14)22(15-6-3-2-4-7-15)27(13-20(28)26-19)23(29)21-17(24)8-5-9-18(21)25/h2-12,22H,13H2,1H3,(H,26,28)
InChIKeyLBRFZKDEOKCHKU-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
Application:
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)
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CHEBI:121030) is a benzodiazepine (CHEBI:22720)
Manual XrefsDatabases
LSM-32473LINCS