Physicochemical, Predicted ADME, and Structural Positioning of Azelaic Acid Within an Endocrine Oncology Reference Framework

Background

Azelaic acid, an established dermatologic dicarboxylic acid, was previously nominated as an unusual anticancer repurposing candidate. However, it remains unclear whether physicochemical properties, predicted ADME, or structural proximity to established endocrine anticancer drugs support this hypothesis. This study positioned azelaic acid relative to a clinically anchored endocrine anticancer reference panel using reference-defined space based on physicochemical and predicted ADME descriptors and two-dimensional structural similarity analyses.