ageladine A (CHEBI:65373)

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ChEBI Name	ageladine A

ChEBI ID	CHEBI:65373

Definition	An imidazopyridine that is 1H-imidazo[4,5-c]pyridin-2-amine substituted by a 4,5-dibromo-1H-pyrrol-2-yl group at position 4. It is an alkaloid isolated from a marine sponge Agelas nakamurai and acts as an inhibitor of the matrix metalloproteinases, the key enzymes involved in tumour growth, migration, angiogenesis, invasion and metastasis.

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

Supplier Information

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Formula

C10H7Br2N5

Net Charge

Average Mass

357.00400

Monoisotopic Mass

354.90682

InChI

InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)

InChIKey

QAKGJAQGTQLMFN-UHFFFAOYSA-N

SMILES

Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1

Metabolite of Species	Details
Agelas nakamurai (NCBI:txid279581)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid ) matrix metalloproteinase inhibitor

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.

ChEBI Ontology
Outgoing	ageladine A (CHEBI:65373) has role angiogenesis inhibitor (CHEBI:48422) ageladine A (CHEBI:65373) has role antineoplastic agent (CHEBI:35610) ageladine A (CHEBI:65373) has role matrix metalloproteinase inhibitor (CHEBI:50664) ageladine A (CHEBI:65373) has role metabolite (CHEBI:25212) ageladine A (CHEBI:65373) is a alkaloid (CHEBI:22315) ageladine A (CHEBI:65373) is a aromatic amine (CHEBI:33860) ageladine A (CHEBI:65373) is a imidazopyridine (CHEBI:46908) ageladine A (CHEBI:65373) is a organobromine compound (CHEBI:37141) ageladine A (CHEBI:65373) is a pyrroles (CHEBI:26455)

IUPAC Name

4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine

Registry Number	Type	Source
9568941	Reaxys Registry Number	Reaxys

Last Modified

30 October 2012