Kabir

TL;DR: A lead optimization campaign is focused on a pyrazole-based series of compounds, using structure-based design concepts, coupled with optimization of cellular potency, in vitro drug-target residence times, and in vivo PK properties, to identify first-in-class inhibitors that demonstrate LDH inhibition in vivo.

TL;DR: This study builds the first publicly available RLM prediction model built using high-quality data generated at a single laboratory, and reveals inherent medicinal chemistry knowledge potentially useful to chemists in the pursuit of synthesizing metabolically stable compounds.

TL;DR: The predictive models of aqueoussolubility can be used to identify insoluble compounds in drug discovery pipeline, provide design ideas for improving solubility by analyzing the atom types associated with poor solubilty and prioritize compound libraries to be purchased or synthesized.