Table 6.
Input parameters used in GastroPlus™ for the physiologically based pharmacokinetic (PBPK) model simulation of tozadenant.
| Parameters | Values |
|---|---|
| Molecular weight (g/mol) | 406.5 |
| pKa 1 | 3.28, 4.7, 10.81 |
| Log P 1 | 1.96 |
| Permeability (cm2/s) 1 | 1.62 |
| Solubility at pH 7 (mg/mL) 1 | 0.28 |
| Blood/plasma concentration ratio (Rbp) 1 in rat and human 1 |
0.82 |
| Unbound fraction (Fup) in rat and human (%) 2 | 26.63, 26.72 |
| Clint in vitro in rat and human (mL/min/mg) 2 | 0.0021, 0.0008 |
All input parameters were calculated by GastroPlus™; 1 predicted values, 2 measured values.