Redefine In Silico Predictions With High-Throughput LC-MS/MS LogD Analysis

In the fast-paced world of drug discovery, accurately assessing a compound's lipophilicity is critical to predicting its behavior in the human body. One of the most informative measures of this property is the distribution coefficient, also known as LogD, which influences how a compound is absorbed, distributed, metabolized, and excreted. While the gold-standard shake flask method provides reliable results, it is time-consuming and not well-suited for high-throughput environments.

Aragen has addressed this challenge by integrating the traditional shake flask technique with advanced LC-MS/MS analysis, enabling faster, more scalable, and reproducible LogD measurements. By testing two different pooling strategies —post-experiment and pre-experiment —they demonstrated how to improve data generation while saving time and maintaining accuracy. This innovative approach enables the efficient evaluation of multiple compounds, supports more informed in silico modeling, and provides actionable insights for lead optimization. With deep scientific expertise and flexible bioanalytical capabilities, it is helping accelerate decision-making in early-stage drug development. Discover how these methods can streamline your future drug discoveries.