Table 9. Prediction of ADMET Properties of Tested Compounds.
| 1 | 2 | 3 | |
|---|---|---|---|
| HIA | <30% | <10% | <30% |
| caco-2 | + | + | + |
| CL (mL/min) | 0.656 | 1.304 | 0.603 |
| carcinogenicity (binary) | - | - | - |
| human intestinal absorption | + | + | + |
| human oral bioavailability | + | + | + |
| P-glycoprotein inhibitor | - | - | - |
| P-glycoprotein substrate | - | - | - |
| carcinogenicity | - | - | - |
| ames mutagenesis | - | - | - |
| blood brain barrier | - | - | - |
| VD (l/kg) | 0.609 | 0.705 | 0.521 |
| plasma protein binding | 0.933541 | 0.927107573 | 0.983123303 |
| CYP1A2 inhibitor | + | + | + |
| CYP2C19 inhibitor | + | + | + |
| CYP2C9 inhibitor | + | + | + |
| CYP2C9 substrate | - | - | - |
| CYP2D6 inhibitor | - | - | - |
| CYP2D6 substrate | - | - | - |
| CYP3A4 inhibitor | - | - | - |
| CYP3A4 substrate | - | - | - |
| OATP1B1 inhibitor | + | + | + |
| OATP1B3 inhibitor | + | + | + |
| OATP2B1 inhibitor | - | - | - |
| OCT1 inhibitor | - | - | - |
| OCT2 inhibitor | - | - | - |
| acute oral toxicity | 2.539262295 | 2.328726769 | 1.877835989 |
| mitochondrial toxicity | - | - | - |
| avian toxicity | - | - | - |
| nephrotoxicity | - | - | - |
| reproductive toxicity | + | + | + |
| respiratory toxicity | - | - | - |
| hepatotoxicity | + | + | + |