EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177565 - Gedocarnil

Default Structure
ChEBI IDCHEBI:177565
ChEBI NameGedocarnil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H21ClN2O4
Net Charge0
Average Mass424.884
Monoisotopic Mass424.11898
SMILESCOCc1c(C(=O)OC(C)C)ncc2nc3cccc(Oc4ccc(Cl)cc4)c3c12
InChIInChI=1S/C23H21ClN2O4/c1-13(2)29-23(27)22-16(12-28-3)20-18(11-25-22)26-17-5-4-6-19(21(17)20)30-15-9-7-14(24)8-10-15/h4-11,13,26H,12H2,1-3H3
InChIKeySLYDYLLJUXFULK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
Gedocarnil (CHEBI:177565) has role anxiolytic drug (CHEBI:35474)
Gedocarnil (CHEBI:177565) is a β-carbolines (CHEBI:60834)
IUPAC Name 
propan-2-yl 5-(4-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
INN  Source
gedocarniloWHO MedNet
Synonym  Source
GedocarnilChEMBL
Manual XrefsDatabases
189915ChemSpider
D07319KEGG DRUG
DB13534DrugBank
Registry NumbersSources
CAS:109623-97-4ChemIDplus