(3S)-3-(1H-Indol-3-ylmethyl)-3H-1,4-benzodiazepine-2,5-diol (CHEBI:192693)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(3S)-3-(1H-Indol-3-ylmethyl)-3H-1,4-benzodiazepine-2,5-diol

ChEBI ID	CHEBI:192693

ChEBI ASCII Name	(3S)-3-(1H-Indol-3-ylmethyl)-3H-1,4-benzodiazepine-2,5-diol

Stars	This entity has been manually annotated by a third party.

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

Formula

C18H15N3O2

Net Charge

Average Mass

305.337

Monoisotopic Mass

305.11643

InChI

InChI=1S/C18H15N3O2/c22-17-13-6-2-4-8-15(13)20-18(23)16(21-17)9-11-10-19-14-7-3-1-5-12(11)14/h1-8,10,16,19H,9H2,(H,20,23)(H,21,22)/t16-/m0/s1

InChIKey

AQDZAHJUWYRHGM-INIZCTEOSA-N

SMILES

O=C1NC=2C(C(=O)N[C@H]1CC=3C=4C(NC3)=CC=CC4)=CC=CC2

Roles Classification
Biological Role(s):	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. (via benzodiazepine )

Application(s):	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. (via benzodiazepine )

ChEBI Ontology
Outgoing	(3S)-3-(1H-Indol-3-ylmethyl)-3H-1,4-benzodiazepine-2,5-diol (CHEBI:192693) is a benzodiazepine (CHEBI:22720)

Synonym	Source
(S)-benzodiazepinedione	UniProt

Citation	Type	Source
19421461	PubMed citation	SUBMITTER