ageladine A (CHEBI:65373)

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CHEBI:65373 - ageladine A

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ChEBI ID	CHEBI:65373
ChEBI Name	ageladine A
Stars
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.
Last Modified	30 October 2012
Downloads	Molfile

Formula	C10H7Br2N5
Net Charge	0
Average Mass	357.009
Monoisotopic Mass	354.90682
SMILES	Nc1nc2ccnc(-c3cc(Br)c(Br)n3)c2n1
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

Species of Metabolite	Component	Source	Comments
Agelas nakamurai (ncbitaxon:279581)	-	PubMed (14677933)

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	matrix metalloproteinase inhibitor metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:	angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
WO2009152584	Patent

Registry Numbers	Sources
Reaxys:9568941	Reaxys

Citations