Table 1. Input data used in the GastroPlus PBPK model.
Parameter | Value |
---|---|
Molecular weight (g/mol) | 516 |
pKa | 4.56 |
LogP | 3.74 |
Caco-2 permeability (10−6 cm/s) | 7.06 |
Aqueous solubility at pH 7 (mg/mL) | 30 |
Rbp in rat, dog, human | 1.38, 1.14, 1.06 |
%fu in rat, dog, human plasma | 15.8, 14.0, 10.0 |
CLp in rat and dog (mL·min−1·kg−1) | 69.7, 26.3 |
Human CLp predicted (from IVIVE, SSSrat, SSSdog, FCIM, and TSrat-dog, mL·min−1·kg−1) | 12.3, 10.3, 11.1, 6.42, 9.53 |