Table 3.
LD50 and toxicity class prediction of tacrine, bis-7-tacrine, and 2a-2h hybrids. The prediction was performed with ProTox-II (http://tox.charite.de/protox_II), a web-server for the prediction of small molecule toxicity [38].
| Compound | Predicted LD50 (mg/Kg) | Predicted Toxicity Class | Average Similarity (%) | Prediction Accuracy (%) |
|---|---|---|---|---|
| 2a | 2100 | 5 | 71.64 | 69.26 |
| 2b | 400 | 4 | 71.50 | 69.26 |
| 2c | 1000 | 4 | 70.45 | 69.26 |
| 2d | 1000 | 4 | 70.01 | 69.26 |
| 2e | 1000 | 4 | 70.01 | 69.26 |
| 2f | 1000 | 4 | 69.92 | 68.07 |
| 2g | 1000 | 4 | 69.92 | 68.07 |
| 2h | 1000 | 4 | 69.92 | 68.07 |
| Tacrine | 40 | 2 | 100.00 | 100.00 |
| Bis-7-tacrine | 400 | 4 | 82.33 | 70.97 |