2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444)

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CHEBI:156444 - 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid

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ChEBI ID	CHEBI:156444
ChEBI Name	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid
Stars
ASCII Name	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid
Definition	A member of the class of furopyridines that is furo[2,3-b]pyridine substituted by a 4-carboxy-3-cyclopentylphenyl group at position 3 and by a 3-methylphenyl group at position 5. It is an inhibitor of CAMKK2 kinase (IC₅₀ = 30nM).
Last Modified	3 September 2020
Submitter	alison.axtman
Downloads	Molfile

Formula	C26H23NO3
Net Charge	0
Average Mass	397.474
Monoisotopic Mass	397.16779
SMILES	Cc1cccc(-c2cnc3occ(-c4ccc(C(=O)O)c(C5CCCC5)c4)c3c2)c1
InChI	InChI=1S/C26H23NO3/c1-16-5-4-8-18(11-16)20-13-23-24(15-30-25(23)27-14-20)19-9-10-21(26(28)29)22(12-19)17-6-2-3-7-17/h4-5,8-15,17H,2-3,6-7H2,1H3,(H,28,29)
InChIKey	TXIYVFVMXNFNRX-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor Any EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of a Ca²⁺/calmodulin-dependent protein kinase (EC 2.7.11.17).

ChEBI Ontology

Outgoing Relation(s)
	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444) has role EC 2.7.11.17 (Ca²⁺/calmodulin-dependent protein kinase) inhibitor (CHEBI:131794)
	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444) is a benzoic acids (CHEBI:22723)
	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444) is a biaryl (CHEBI:64459)
	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444) is a cyclopentanes (CHEBI:23493)
	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444) is a furopyridine (CHEBI:38197)
	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444) is a monocarboxylic acid (CHEBI:25384)
	2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CHEBI:156444) is a toluenes (CHEBI:27024)

IUPAC Name
2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid

Synonym	Source
SGC-CAMKK2-1	ChEBI