Table 2.
Predicted ADMET properties of MMZ compounds.
| Compound/Property | Gastrointestinal (GI) Absorption (SwissADME) |
CYP2D6 Inhibitor (SwissADME/pkCSM) |
CYP3A4 Inhibitor (SwissADME/pkCSM) |
Blood–Brain Barrier (BBB) Permeability (SwissADME) |
P-glycoprotein Substrate (SwissADME) |
Ames Toxicity (pkCSM/PreADMET) |
Cardiotoxicity (hERG Inhibition) (PreADMET) |
Hepatotoxicity (pkCSM) |
|---|---|---|---|---|---|---|---|---|
| MMZ-33 | High | Yes/No | No/No | Yes | Yes | No/No | Ambiguous | Yes |
| MMZ-39 | High | Yes/No | Yes/No | Yes | Yes | Yes/No | Medium risk | Yes |
| MMZ-45 | High | Yes | Yes | Yes | Yes | Yes/Yes | Ambiguous | Yes |
| MMZ-140 | High | Yes | No/Yes | Yes | No | Yes/Yes | Low risk | Yes |
| MMZ-147 | High | Yes/No | Yes | No | No | Yes/No | Ambiguous | Yes |
| MMZ-167 | High | Yes | Yes | Yes | Yes | Yes/No | Ambiguous | Yes |