Table 8 Summary of in-silico prediction by ADMETLab2.0
Parameters | 21MAT | |
|---|---|---|
Physicochemical Property | ||
| Â | LogS | -3.743 |
| Â | LogP | 4.382 |
| Â | LogD | 4.169 |
Medicinal Chemistry | Â | Â |
| Â | Lipinski Rule | Accepted absorption or permeability is possible, |
| Â | GSK Rule | Rejected more favorable ADMET profile |
Absorption | Â | Â |
| Â | Caco-2 Permeability | -5.036 |
|  | MDCK Permeability | 1.6 × 10− 5 |
Distribution | Â | Â |
| Â | PPB | 98.45% |
| Â | Fu | 1.089% |
Metabolism | Â | Â |
| Â | CYP1A2, CYP2C9, CYP2D6, CYP3A4 | Inhibitor |
Excretion | Â | Â |
| Â | CL | 6.487 |
| Â | T1/2 | 0.299 |
Toxicity | Â | Â |
| Â | AMES | Probably |
| Â | Rat Oral Acute Toxicity Acute Toxicity | 0.031 |