Table 4. Predicted ADME parameters of benzo[h]quinoline derivatives.
| Compound | Aqueous solubility | CYP2D6 binding | Hepatotoxicity | BBB penetration | Plasma protein binding |
|---|---|---|---|---|---|
| 3a | 1 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3b | 1 (poor)) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3c | 0 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3d | 1 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3e | 1 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3f | 1 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3g | 1 (poor) | True (inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3h | 1 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3i | 1 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| 3j | 1 (poor) | False (non-inhibitor) | True (toxic) | 0 (Good) | True (highly bound) |
| Doxorubicin | 2 (low) | False (non-inhibitor) | True (toxic) | 0 (Good) | False (low bound) |
Cytochrome (CYP-2D6) binding, hepatotoxicity and plasma-protein binding predictions using Discovery Studio 4.0 (Biovia).