EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105663 - 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

Default Structure
ChEBI IDCHEBI:105663
ChEBI Name2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC15H15N3O4S2
Net Charge0
Average Mass365.436
Monoisotopic Mass365.05040
SMILESCCOC(=O)c1c(N=CC2C(=O)NC(=S)NC2=O)sc2c1CCC2
InChIInChI=1S/C15H15N3O4S2/c1-2-22-14(21)10-7-4-3-5-9(7)24-13(10)16-6-8-11(19)17-15(23)18-12(8)20/h6,8H,2-5H2,1H3,(H2,17,18,19,20,23)
InChIKeyPPSLRDNSYWDYKX-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)
2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester (CHEBI:105663) is a barbiturates (CHEBI:22693)
Manual XrefsDatabases
LSM-17026LINCS