Table 2.
ADMET Properties of Complex Mn Sis-Tir Dtc
| ADMET | Characteristic | Mn Sis-Tir Dtc |
|---|---|---|
| Solubility in water | -3.509 | |
| Caco-2 Cell Permeability | 0.171 | |
| Intestinal absorption (human) | 76.841 | |
| Absorption | Skin Permeability | -3.887 |
| Distribution | VDss (human) | -0.321 |
| Unbound fractions (human) | 0.351 | |
| BBB Permeability | -1.088 | |
| CNS Permeability | -3.545 | |
| Metabolism | CYP2D6 Substrate | No |
| CYP3A4 Substrate | No | |
| CYP2C9 inhibitior | No | |
| CYP2D6 inhibitior | No | |
| CYP3A4 inhibitior | No | |
| Total Clearance | -0.055 | |
| Excretion | Renal OCT2 Substrate | No |
| Toxicity | AMES Toxicity | No |
| Tolerated dose (human) | -0.377 | |
| hERG I inhibitor | No | |
| hERG II inhibitors | No | |
| Oral rat acute toxicity (LD50) | 2.961 | |
| Hepatotoxicity | No | |
| Skin Sensitization | No | |
| T.Pyriformis toxicity | 0.421 | |
| Small fish toxicity | 2.56 |