Predicted absorption and distribution paramaters of isoindolin-1-ones 1.
| Compound | Absorption | Distribution | |||
|---|---|---|---|---|---|
| HIA (%) | Caco-2 cell permeability (nm s−1) | MDCK (nm s−1) | PPB (%) | Blood–brain barrier penetration (Cbrain/Cblood) | |
| 1a | 100 | 52.05 | 34.49 | 97.18 | 1.31 |
| 1b | 100 | 52.23 | 47.21 | 94.75 | 1.89 |
| 1c | 100 | 51.04 | 32.47 | 94.85 | 2.20 |
| 1d | 100 | 54.23 | 3.23 | 100 | 1.05 |
| 1e | 100 | 54.27 | 2.97 | 99.80 | 0.64 |
| 1f | 100 | 41.86 | 0.04 | 99.08 | 4.65 |
| 1g | 100 | 29.52 | 23.99 | 85.81 | 10.36 |
| 1h | 100 | 53.31 | 3.49 | 93.15 | 0.21 |
| 1i | 100 | 53.31 | 53.31 | 93.10 | 0.21 |
| 1j | 100 | 53.25 | 13.25 | 92.98 | 0.21 |
| 1k | 99.24 | 56.11 | 223.93 | 94.82 | 3.18 |
| 1l | 97.48 | 53.23 | 23.77 | 99.51 | 2.29 |
| 1m | 100 | 52.15 | 16.49 | 97.21 | 2.21 |
| Required parameters | >20 | >4 | >25 | >90 | >0.1 |