Literature summary for 2.1.1.6 extracted from

Zhao, Z.; Harrison, S.T.; Schubert, J.W.; Sanders, J.M.; Polsky-Fisher, S.; Zhang, N.R.; McLoughlin, D.; Gibson, C.R.; Robinson, R.G.; Sachs, N.A.; Kandebo, M.; Yao, L.; Smith, S.M.; Hutson, P.H.; Wolkenberg, S.E.; Barrow, J.C.
Synthesis and optimization of N-heterocyclic pyridinones as catechol-O-methyltransferase (COMT) inhibitors (2016), Bioorg. Med. Chem. Lett., 26, 2952-2956 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
13-hydroxy-36-(trifluoromethyl)-14H-[11,22:24,32-terpyridin]-14-one	-	Homo sapiens
3-hydroxy-4'-phenyl-4H-[1,2'-bipyridin]-4-one	potent inhibitor with sufficient in vivo exposure to significantly affect the dopamine metabolites homovanillic acid and dihydroxyphenylacetic acid	Homo sapiens
4'-(1-benzyl-1H-pyrazol-4-yl)-3-hydroxy-4H-[1,2'-bipyridin]-4-one	-	Homo sapiens
4'-(3,4-dichlorophenyl)-3-hydroxy-4H-[1,2'-bipyridin]-4-one	-	Homo sapiens
4'-fluoro-3-hydroxy-5'-phenyl-4H-[1,3'-bipyridin]-4-one	-	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P21964	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000035	-	membrane-bound isoform, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	4'-(3,4-dichlorophenyl)-3-hydroxy-4H-[1,2'-bipyridin]-4-one
0.00004	-	membrane-bound isoform, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	3-hydroxy-4'-phenyl-4H-[1,2'-bipyridin]-4-one
0.0000495	-	membrane-bound isoform, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	4'-(1-benzyl-1H-pyrazol-4-yl)-3-hydroxy-4H-[1,2'-bipyridin]-4-one
0.000055	-	membrane-bound isoform, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	4'-fluoro-3-hydroxy-5'-phenyl-4H-[1,3'-bipyridin]-4-one
0.000084	-	membrane-bound isoform, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	13-hydroxy-36-(trifluoromethyl)-14H-[11,22:24,32-terpyridin]-14-one
0.000946	-	soluble isoform, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	4'-fluoro-3-hydroxy-5'-phenyl-4H-[1,3'-bipyridin]-4-one
0.00302	-	soluble isoform, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	3-hydroxy-4'-phenyl-4H-[1,2'-bipyridin]-4-one

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Release 2023.1 (January 2023)