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Cloe® PK prediction results have been compared to in vivo data provided by our Partners and from literature. Almost 1000 independent results have been obtained in which Cloe PK plasma levels are compared to plasma levels obtained from animal studies or from human clinical trials.

Using only in vitro ADME data, Cloe® PK predicts within 3.75 fold of the human clinical trial data for oral compounds, and 2 fold for intravenously-dosed compounds. Similar results have been seen in the rat.

These results show that the physiologically-based simulation approach offered by Cloe® PK is a valuable way to predict how compounds will behave in the body from the very earliest stages of lead discovery.
Human oral dosing - Area Under Curve results from 236 different compounds from Cloe® PK predictions (Y-axis) and human clinical trials (X-axis) are compared. Know drugs are shown in blue, development compounds in red. Close agreement is shown in both accuracy and compound ranking.
Human iv dosing - Comparison of Cloe® PK (Y-axis) and human clinical trial data (X-axis) for compounds dosed intravenously show an average of 2 fold difference. These results were obtained by using logD, metabolic clearance rate, plasma protein binding and readily available physicochemical data. It did not require in vivo data to train the models, making this approach valuable for interpreting ADME data.
Comparison of plasma concentration profiles - some known compounds
Clozapine - predicted versus observed plasma concentration profile from iv dosed compound in the rat.
Erythromycin - iv dosing in the rat. Black diamonds shows plasma levels obtained from two rat experiments. Dashed lines show the median, upper and lower percentiles for plasma levels as predicted by Cloe PK.
Pentazocine - predicted versus observed plasma concentration profile from iv dosed compound in the rat. (Black diamonds - in vivo data; dashed lines - Cloe PK).
Phenytoin - comparison of in vivo measurement in the rat to predicted values from Cloe PK. Data from 3 rats were obtained - and shows inter-animal variation. Cloe PK predictions closely match in vivo values.
New assay:
Cloe® Select: P-gp inhibition assay
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