Table 7.
ADMET-Tox pharmacokinetic properties of L28, L30, and Nortriptyline ligands.
| Absorption |
Distribution |
Metabolism |
Excretion |
Toxicity |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ligands number | Intestinal Absorption (human) |
VDss (human) |
BBB permeability |
CNS permeability |
Substrate |
Inhibitor |
Total Clearance |
AMES toxicity |
|||||
| CYP | |||||||||||||
| 2D6 |
3A4 |
1A2 |
2C19 |
2C9 |
2D6 |
3A4 |
|||||||
| Numeric (% Absorbed) | Numeric (Log L/kg) | Numeric (Log BB) | Numeric (Log PS) | Categorical (Yes/No) | Numeric (Log ml/min/kg) | Categorical (Yes/No) | |||||||
| L28 | 96.007 | 0.234 | −0.818 | −2.839 | No | Yes | No | Yes | Yes | No | Yes | 0.563 | Not toxic |
| L30 | 98.673 | 0.219 | −0.353 | −1.865 | No | Yes | Yes | Yes | Yes | No | Yes | 0.711 | Not toxic |
| Nortriptyline | 97.482 | 1.575 | 0.808 | −1.196 | No | Yes | Yes | No | No | Yes | No | 0.929 | Not toxic |