Table 2.
ADMET profile of top-ranked nine drugs.
| Drug compounds (LogP) |
Absorption | Desorption | Metabolism | Excretion | Toxicity | |||
|---|---|---|---|---|---|---|---|---|
| Caco2 Permeability | HIA (%) |
BBB (Permeability) | CNS (Permeability) | CYP3A4 | TC | LC50 | LD50 (mole/kg) | |
| Fluoxetine (-4.36) | 1.764 | 91.371 | 0.501 | -1.32 | Yes | 0.694 | 1.25 | 2.87 |
| Vatalanib (-5.20) | 1.431 | 95.00 | 0.313 | -1.78 | Yes | -0.086 | -0.45 | 3.19 |
| TGX221 (-3.46) | 1.194 | 98.08 | 0.471 | -2.02 | Yes | 0.547 | -0.56 | 2.88 |
| Fenbendazole (-4.08) | 0.867 | 88.17 | 0.176 | -2.12 | No | 0.734 | -0.13 | 2.46 |
| RO3306(-4.77) | 1.40 | 89.1 | 0.399 | -1.80 | Yes | -0.137 | 0.47 | 2.50 |
| Vandetanib (-5.89) | 1.40 | 90.74 | -0.037 | -2.20 | Yes | 0.548 | 0.44 | 2.89 |
| SNX2112(-5.06) | 0.69 | 89.84 | -1.29 | -2.45 | Yes | -0.029 | 1.35 | 2.38 |
| Crenolanib (-5.01) | 1.36 | 87.98 | -0.26 | -2.35 | Yes | 0.987 | -1.79 | 2.26 |
| MLN4924(-3.62) | 0.524 | 84.75 | -1.21 | -3.26 | Yes | 0.560 | 2.51 | 2.38 |