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Aryl 1,4-diazepane compounds as potent and selective CB2 agonists: optimization of drug-like properties and target independent parameters |
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| Authors: | Zindell Renée Walker Edward R Scott John Amouzegh Patricia Wu Lifen Ermann Monika Thomson David Fisher Micheal B Fullenwider Cody Lee Grbic Heather Kaplita Paul Linehan Brian Patel Mita Patel Monica Löbbe Sabine Block Svenja Albrecht Claudia Gemkow Mark J Shih Daw-Tsun Riether Doris |
| Affiliation: | a Department of Medicinal Chemistry, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, PO Box 368, Ridgefield, CT 06877-0368, USA b Department of Inflammation and Immunology, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, PO Box 368, Ridgefield, CT 06877-0368, USA c Department of Drug Discovery Support, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, PO Box 368, Ridgefield, CT 06877-0368, USA d Evotec (UK) Ltd., 114 Milton Park, Abingdon, Oxfordshire OX14 4SA, United Kingdom e Evotec AG, Schnackenburgallee 114, 22525 Hamburg, Germany |
| Abstract: | A high throughput screening campaign identified aryl 1,4-diazepane compounds as potent and selective cannabinoid receptor 2 agonists as compared to cannabinoid receptor 1. This class of compounds suffered from poor drug-like parameters as well as low microsomal stability and poor solubility. Structure-activity relationships are described with a focus on improving the drug-like parameters resulting in compounds with improved solubility and permeability. |
| Keywords: | Cannabinoid receptor CB2 1,4-Diazepane Drug-like parameters Permeability |
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