CHEBI:3761 - clorazepic acid

ChEBI IDCHEBI:3761
ChEBI Nameclorazepic acid
Stars
DefinitionA 1,4-benzodiazepinone in which the oxo group is at position 2, and which is substituted at positions 3, 5, and 7 by carboxy, phenyl and chloro groups, respectively.
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H11ClN2O3
Net Charge0
Average Mass314.728
Monoisotopic Mass314.04582
SMILESO=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)
InChIKeyXDDJGVMJFWAHJX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
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:
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.
anticonvulsant  A drug used to prevent seizures or reduce their severity.
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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)
clorazepic acid (CHEBI:3761) has role anticonvulsant (CHEBI:35623)
clorazepic acid (CHEBI:3761) has role anxiolytic drug (CHEBI:35474)
clorazepic acid (CHEBI:3761) has role GABA modulator (CHEBI:50268)
clorazepic acid (CHEBI:3761) has role prodrug (CHEBI:50266)
clorazepic acid (CHEBI:3761) is a 1,4-benzodiazepinone (CHEBI:35500)
clorazepic acid (CHEBI:3761) is conjugate acid of clorazepic acid anion (CHEBI:59590)
Incoming Relation(s)
clorazepic acid anion (CHEBI:59590) is conjugate base of clorazepic acid (CHEBI:3761)
IUPAC Name 
7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid
Synonyms  Source
ClorazepateKEGG COMPOUND
7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acidChemIDplus
Clorazepic acidKEGG COMPOUND
Manual XrefsDatabases
C06921KEGG COMPOUND
DB00628DrugBank
NL6507637Patent
US3516988Patent
ClorazepateWikipedia
711DrugCentral
Registry NumbersSources
Beilstein:757058Beilstein
CAS:23887-31-2KEGG COMPOUND
CAS:23887-31-2ChemIDplus