Table 3.
Input parameters for PBPK modeling of fexuprazan in humans.
| Category | Parameter (unit) | Value | Comments |
|---|---|---|---|
| Physicochemical Properties and Blood Binding | Compound type | Base | |
| pKa | 9.04 | Determined [16] | |
| logP | 2.38 | ||
| fup | 0.0645 | ||
| B/P ratio () | 0.8 | ||
| Absorption | Ka (min−1) | 0.0606 | Predicted (See text) |
| Fa | 0.761 | Optimized (See text) | |
| Distribution (Kp) * | Adrenal gland | 20.8 | Corrected by Kp,scalar (See text) |
| Adipose | 4.32 | ||
| Brain | 1.32 | ||
| Heart | 4.60 | ||
| Kidney | 16.4 | ||
| Liver | 303 | ||
| Lung | 87.6 | ||
| Large Intestine | 40.8 | ||
| Small Intestine | 124 | ||
| Spleen | 17.8 | ||
| Stomach | 193 | ||
| Elimination | 0.904 | Predicted (See text) | |
| (L/min) | 12.9 | Optimized (See text) | |
| M14 Formation by CYP3A4 | (nmol/min) | 248 | Determined [16] |
| (μM) | 0.093 | ||
| M11 Formation by CYP3A4 | (nmol/min) | 800 | Determined [16] |
| (μM) | 15.95 |
* Tissue-to-plasma partition coefficients () were corrected from the values of rat tissues (Table 2).