| Literature DB >> 31265286 |
Pamela A Haile1, Linda N Casillas1, Bartholomew J Votta1, Gren Z Wang1, Adam K Charnley1, Xiaoyang Dong1, Michael J Bury1, Joseph J Romano1, John F Mehlmann1, Bryan W King1, Karl F Erhard1, Charles R Hanning1, David B Lipshutz1, Biva M Desai1, Carol A Capriotti1, Michelle C Schaeffer1, Scott B Berger1, Mukesh K Mahajan1, Michael A Reilly1, Rakesh Nagilla1, Elizabeth J Rivera1, Helen H Sun1, John K Kenna1, Allison M Beal1, Michael T Ouellette1, Mike Kelly2, Gillian Stemp2, Máire A Convery2, Anna Vossenkämper3, Thomas T MacDonald3, Peter J Gough1, John Bertin1, Robert W Marquis1.
Abstract
RIP2 kinase has been identified as a key signal transduction partner in the NOD2 pathway contributing to a variety of human pathologies, including immune-mediated inflammatory diseases. Small-molecule inhibitors of RIP2 kinase or its signaling partners on the NOD2 pathway that are suitable for advancement into the clinic have yet to be described. Herein, we report our discovery and profile of the prodrug clinical compound, inhibitor 3, currently in phase 1 clinical studies. Compound 3 potently binds to RIP2 kinase with good kinase specificity and has excellent activity in blocking many proinflammatory cytokine responses in vivo and in human IBD explant samples. The highly favorable physicochemical and ADMET properties of 3 combined with high potency led to a predicted low oral dose in humans.Entities:
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Year: 2019 PMID: 31265286 DOI: 10.1021/acs.jmedchem.9b00575
Source DB: PubMed Journal: J Med Chem ISSN: 0022-2623 Impact factor: 7.446