Table 8.
Prediction of the ADME-toxicity pharmacokinetic properties for Shyobunol
| Compounds number | A | D | M | E | T | ||||||||
| Human intestinal absorption | Blood–brain barrier permeability | Central nervous system permeability | Substrate | Inhibitor | Total clearance | Hepatotoxicity | Skin sensitization | ||||||
| Cytochromes | |||||||||||||
| 2D-6 | 3A-4 | 1A-2 | 2C-19 | 2C-9 | 2D-6 | 3A-4 | |||||||
| (% absorbed) | (Log BB) | (Log PS) | (No/Yes) | Numeric (log mL/min/kg) | (No/Yes) | ||||||||
|
| |||||||||||||
| C12 | 95.051 | 0.618 | −2.112 | No | No | No | Yes | No | No | No | 1.385 | No | Yes |
Note: A: absorption; D: distribution; M: metabolism; E: excretion; T: toxicity.