Table 4. ADMET Prediction of the Most Active Hybrids.
| compound 5b |
compound 18 |
|||
|---|---|---|---|---|
| ADMET | PreADMET server | PkCSM server | PreADMET server | PkCSM server |
| intestinal absorption | 97.83% | 100% | 96.0% | 100% |
| volume of distribution (human) (log L/kg) | 0.916 | –0.331 | 1.137 | –0.404 |
| skin permeability log Kp, cm/h | –0.72 | –2.73 | –1.83944 | –2.749 |
| P-glycoprotein I inhibitor | yes | yes | yes | yes |
| cytochrome P450 inhibition | no | no | no | no |
| excretion log mL/min/kg | –0.508 | –0.555 | ||
| Ames test | nonmutagen | nonmutagen | nonmutagen | nonmutagen |
| hepatotoxicity | no | no | no | no |