Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit.

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Zbinden KG, Anselm L, Banner DW, Benz J, Blasco F, Decoret G, Himber J, Kuhn B, Panday N, Ricklin F, Risch P, Schlatter D, Stahl M, Thomi S, Unger R, Haap W

Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit.

Eur J Med Chem. 2009 Jul;44(7):2787-95. doi: 10.1016/j.ejmech.2008.12.025. Epub 2009 Jan 3.

PubMed ID

19200624 [ View in PubMed

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Abstract

Starting from a hit identified by focused screening, 3-aminopyrrolidine factor Xa inhibitors were designed. The binding mode as determined by X-ray structural analysis as well as the pharmacokinetic behaviour of selected compounds is discussed.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide	Coagulation factor X	Ki (nM)	8	N/A	N/A	Details
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide	Coagulation factor X	Ki (nM)	10	N/A	N/A	Details
5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE	Coagulation factor X	Ki (nM)	31	N/A	N/A	Details