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Understanding compound
exposure levels from in vitro data
Cloe® PK is a pharmacokinetic prediction system that integrates
compound property data derived from in vitro ADME screening,
QSAR predictive models or a combination of both. The input data that
is required to predict a compound's exposure profile is limited to
ADME properties that are typically generated in early discovery programs.
For predicting exposure levels from an intravenous administration:
- Log P, Lipophilicity (CHI or Log D), pKa
- Metabolic stability rate
- Fraction unbound in plasma
For predicting exposure levels from an oral administration:
- Log P, Lipophilicity (CHI or Log D), pKa
- Metabolic stability rate
- Fraction unbound in plasma
- Solubility
- Permeability (e.g. Caco-2 permeability)
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