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Literature summary for 2.1.1.6 extracted from

  • Buchler, I.; Akuma, D.; Au, V.; Carr, G.; de Leon, P.; DePasquale, M.; Ernst, G.; Huang, Y.; Kimos, M.; Kolobova, A.; Poslusney, M.; Wei, H.; Swinnen, D.; Montel, F.; Moureau, F.; Jigorel, E.; Schulze, M.E.D.; Wood, M.; Barrow, J.C.
    Optimization of 8-hydroxyquinolines as inhibitors of catechol O-methyltransferase (2018), J. Med. Chem., 61, 9647-9665 .
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
expression of membrane-bound and soluble form, in HEK-293 cell Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
soluble enzyme form, in complex with inhibitor shows chelation of the active site magnesium Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
5-(cyclopentylsulfonyl)-7-fluoroquinolin-8-ol compound displays good pharmacokinetics in rats. pIC50 value 8.7 for membrane-bound form, 5.6 for soluble form Homo sapiens
7-chloro-5-((4-fluorophenyl)sulfonyl)quinolin-8-ol compound exhibits very low clearance and long half-life in rat pharmacokinetics studies. pIC50 value 6.7 for membrane-bound form, below 5 for soluble form Homo sapiens
7-chloro-5-(cyclopentylsulfonyl)quinolin-8-ol compound exhibits very low clearance and long half-life in rat pharmacokinetics studies. pIC50 value 7.7 for membrane-bound form, below 5 for soluble form Homo sapiens
7-chloro-5-(pyrrolidin-1-ylsulfonyl)quinolin-8-ol compound exhibits very low clearance and long half-life in rat pharmacokinetics studies . pIC50 value 8.0 for membrane-bound form, 5.5 for soluble form Homo sapiens
7-fluoro-5-(pyrrolidin-1-ylsulfonyl)quinolin-8-ol compound displays good pharmacokinetics in rats. pIC50 value 8.4 for membrane-bound form, 5.8 for soluble form Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P21964
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