Improving the odds of success in drug discovery: choosing the best compounds for in vivo toxicology studies.

Abstract

A set of molecules that advanced into exploratory animal toxicology studies (two species) was examined to determine what properties contributed to success in these safety studies. Compounds were rigorously evaluated across numerous safety end points and classified as "pass" if a suitable in vivo therapeutic index (TI) was achieved for advancement into regulatory toxicology studies. The most predictive end point contributing to compound survival was a predicted human efficacious concentration (Ceff) of ≤250 nM (total drug) and ≤40 nM (free drug). This trend held across a wide range of CNS modes of action, encompassing targets such as enzymes, G-protein-coupled receptors, ion channels, and transporters.

DOI: 10.1021/jm401485p
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Cite this paper

@article{Wager2013ImprovingTO, title={Improving the odds of success in drug discovery: choosing the best compounds for in vivo toxicology studies.}, author={Travis T Wager and Bethany L. Kormos and Joseph T Brady and Yvonne Will and Michael D Aleo and Donald B. Stedman and Max Kuhn and Ramalakshmi Y Chandrasekaran}, journal={Journal of medicinal chemistry}, year={2013}, volume={56 23}, pages={9771-9} }