ChemCores™ & ChemKits™

Low molecular weight templates that have the potential to provide multiple expansions with a broad range of ligands for diverse receptors meet all of Lipinski’s rules for drug like compounds and serve as attractive starting points for drug discovery programs. ChemCores™ are a collection of templates used for G-protein coupled receptors, kinase and ion channel based research programs. These molecules are unique and proprietary to ChemRoutes and incorporate drug-like design principles and have proven to be successful in research programs over the years. The broad selectivity and systemic design of the molecules, coverage of chemical space and potential patentability of the compounds make them good starting points for discovery-based research programs and hit-to-lead based optimization programs.

Once the novel target has been identified, design of the scaffolds includes application of pharmacophore functionality to conformationally defined scaffolds and binding studies in receptor regions that are sensitive to expression as either agonist or antagonist activity. These incorporated design principles help increase the “drug likeness” of the scaffold and leads to increased chances of getting hits in the assays and hence potential drug like candidates. These templates are then enumerated in a rational process using medicinal chemistry principles, plausible and scalable synthetic strategies to generate novel compounds for further expansion. Incorporation of scalable and cost efficient synthetic routes in the original design of the scaffolds and their systematic expansions helps in significant time and cost savings in downstream process development since synthetic route modification or optimization is may not be extensively required.