1-azakenpaullone (CHEBI:131490)

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ChEBI Name	1-azakenpaullone

ChEBI ID	CHEBI:131490

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H10BrN3O

Net Charge

Average Mass

328.163

Monoisotopic Mass

327.00072

InChI

InChI=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)

InChIKey

NTSBZVCEIVPKBJ-UHFFFAOYSA-N

SMILES

N1C2=C(C3=C1C=CC(=C3)Br)CC(NC4=C2N=CC=C4)=O

Roles Classification
Biological Role(s):	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). 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.

ChEBI Ontology
Outgoing	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-AKP	ChEBI

Registry Number	Type	Source
9571784	Reaxys Registry Number	Reaxys

Last Modified

04 October 2017