Table 6 The distribution profile of chalcones as predicted by the software
Ligands | VDss (human) | Fraction unbound (fu) (human) | BBB permeability | CNS permeability |
|---|---|---|---|---|
1a | 0.015 | 0.058 | 0.012 | − 1.641 |
1b | 0.106 | 0.000 | 0.425 | − 1.298 |
1c | 0.087 | 0.000 | − 0.233 | − 2.219 |
2a | 0.041 | 0.000 | − 0.328 | − 2.123 |
2b | 0.527 | 0.000 | 0.398 | − 1.465 |
2c | − 0.476 | 0.017 | − 0.257 | − 2.157 |
3a | − 2.366 | 0.000 | − 0.200 | − 2.253 |
3b | − 0.083 | 0.035 | 0.479 | − 1.054 |
3c | − 0.227 | 0.024 | − 0.258 | − 2.053 |
4b | 0.638 | 0.000 | − 0.341 | − 1.930 |