How, and at what stage, would I use Cloe® PK in drug discovery?
A. Cloe® PK v2.1 is useful in both hit-to-lead and lead optimisation stages, for ranking compounds on the basis of their expected pharmacokinetics in both animals and humans, using simple inputs. Thus, it can perform human PK prediction, using relatively few inputs, and without the need for animal in vivo PK data. It can also be used for prioritising compounds to be tested in animal, for either efficacy studies in disease models, or for toxicity studies. For both purposes, it is necessary to ensure sufficient exposure for your purpose. Therefore, by predicting PK in rat and mouse, you can estimate your expected exposure, and select only those compounds that are predicted to meet your requirements for in vivo studies, e.g. You could choose those compounds with low predicted clearance, and/or high predicted oral bioavailability in the appropriate animal model.
