Predicting Solubility of New Drugs

In pharmaceutical research, solubility plays a key part in the assessment of pharmacokinetic risks. Poor drug absorption, reduced efficacy, excessive metabolism, and adverse reactions are frequently related to issues of drug solubility. During early discovery research at pharmaceutical companies, many thousands of molecules are considered. Most are rejected due to perceived unfavorable properties. Here the author uses the Wiki-pS0^TM database, which forms the backbone of this unique handbook. Also discussed is the emerging class of therapeutically promising research molecules called PROTACs (proteolysis-targeting chimeras), showing a propensity for ‘undruggable’ targets.

Features

• A comprehensive and unique listing of measured aqueous intrinsic solubility focusing on drug-like and drug-relevant molecules.
• The database can be used to predict the solubility of research pharmaceutical molecules.
• Includes downloadable files of the database (.csv format).
• The mining of the database can result in a better design of solubility assay protocols, leading to better quality of measurements.
• Artificial intelligence and Bayesian statistics will likely be key to this subject area in the future.