Journal of Medicinal Chemistry · 2014 · 86 citations · 28 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryLead OptimizationAnti-inflammatory PharmacologyEnzyme InhibitionHit-to-lead OptimizationInflammation PharmacologyPotency OptimizationStructure-activity Relationship AnalysisAnti-inflammatory Drug DiscoveryIn Vivo Efficacy TestingKinase InhibitorsPhysicochemical PropertiesPi3k InhibitorsPi3k SignalingProtein Kinase InhibitorsSelectivity
The development and optimization of a series of quinolinylpurines as potent and selective PI3Kδ kinase inhibitors with excellent physicochemical properties are described. This medicinal chemistry effort led to the identification of 1 (AMG319), a compound with an IC50 of 16 nM in a human whole blood assay (HWB), excellent selectivity over a large panel of protein kinases, and a high level of in vivo efficacy as measured by two rodent disease models of inflammation.
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Features and development of <i>Coot</i>
Paul Emsley, Bernhard Lohkamp, W. G. Scott et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 29.6K citations · Full text