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. 2015 Nov 23;36(12):1528–1536. doi: 10.1038/aps.2015.118

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