Profiling of drug discovery leads for their pharmaceutical properties (physicochemical and metabolic) provides great advantages for medicinal chemistry: HTS hit selection can include considerations of “lead-like” properties. Compound property liabilities can be quickly identified. Physicochemical and metabolic data relate directly to structural features, allowing medicinal chemists to make specific structural modifications to “tune” series properties. Project risk can be reduced by focusing on the most favorable compounds. Biological activity assays can be best planned and interpreted by knowing factors such as the solubility and permeability of compounds. Complex biological process (e.g., bioavailability) can be diagnosed using data from fundamental properties. Access to rapid property assays allows activity data and property data to be produced in parallel, so that a comprehensive data package is available in evaluating compound performance and planning structure re-design. All of these opportunities allow property profiling to be an integrated function within medicinal chemistry, for the enhancement of drug discovery.
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Back to The 37th Middle Atlantic Regional Meeting (May 22-25, 2005)