Table 1.
Input parameters used in the PBPK model for simulations of buagafuran.
| Parameters | Values |
|---|---|
| MW | 262.44 |
| logPb | 6.24 |
| Solubility (mg/mL)b | 0.00985 |
| Particle density (g/mL)b | 1.2 |
| Mean precipitation time (s)b | 900 |
| Diffusion coefficient (cm2/s)b | 0.8251 |
| Drug particle density (g/mL)b | 1.2 |
| Mean particle radius (μm)b | 5 |
| Caco-2 Papp (cm2/s)a | 19.5 × 10-5 |
| Blood/plasma concentration ratiob | 0.73 |
| Fuphuman (%)a | 3.1 |
| Fuprat (%)a | 4 |
All predicted parameters were calculated by GastroPlusTM, version 8.5 (Simulations Plus, Inc., Lancaster, CA, United States); ameasured values; bpredicted values.