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CHEBI:131490 - 1-azakenpaullone

ChEBI IDCHEBI:131490
ChEBI Name1-azakenpaullone
Stars
DefinitionAn organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively.
Last Modified4 October 2017
SubmitterSteve
DownloadsMolfile
FormulaC15H10BrN3O
Net Charge0
Average Mass328.169
Monoisotopic Mass327.00072
SMILESO=C1Cc2c(nc3ccc(Br)cc23)-c2ncccc2N1
InChIInChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)
InChIKeyNTSBZVCEIVPKBJ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
Wnt signalling activator  A substance that activates any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell.
EC 2.7.11.26 (tau-protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26).
ChEBI Ontology
Outgoing Relation(s)
1-azakenpaullone (CHEBI:131490) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092)
1-azakenpaullone (CHEBI:131490) has role Wnt signalling activator (CHEBI:131492)
1-azakenpaullone (CHEBI:131490) is a lactam (CHEBI:24995)
1-azakenpaullone (CHEBI:131490) is a organic heterotetracyclic compound (CHEBI:38163)
1-azakenpaullone (CHEBI:131490) is a organobromine compound (CHEBI:37141)
1-azakenpaullone (CHEBI:131490) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
9-bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one
Synonym  Source
1-AKPChEBI
Registry NumbersSources
Reaxys:9571784Reaxys
Citations