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Pyrrole[2,3-d]azepines have been identified as potent agonists of the farnesoid X receptor (FXR). Based on the planar X-ray crystal structure of WAY-362450 1 in the ligand binding domain and molecular modeling studies, non-planar reduced compounds were designed which led to agonists that exhibit high aqueous solubility and retain moderate in vitro potency.


John F Mehlmann, Matthew L Crawley, Joseph T Lundquist, Ray J Unwalla, Douglas C Harnish, Mark J Evans, Callain Y Kim, Jay E Wrobel, Paige E Mahaney. Pyrrole[2,3-d]azepino compounds as agonists of the farnesoid X receptor (FXR). Bioorganic & medicinal chemistry letters. 2009 Sep 15;19(18):5289-92

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PMID: 19683924

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