Table 1.
Compound | logP a | Solubility b [mg/mL] | Permeability c [10−6 cm/s] |
PPB d | CNS e |
---|---|---|---|---|---|
13 | 3.95 | 0.004 | 23.6 | 83% | −1.86 |
14 | 3.70 | 0.009 | 23.7 | 77% | −1.77 |
15 | 4.27 | 0.002 | 23.3 | 90% | −2.05 |
16 | 3.32 | 0.009 | 23.4 | 77% | −1.82 |
17 | 3.58 | 0.01 | 23.6 | 81% | −1.92 |
18 | 3.94 | 0.01 | 23.6 | 83% | −1.86 |
a lipophilicity logP (<−2.0 very hydrophilic, −2.0–(−1.0) hydrophilic, −1.0–4.2 optimal, 4.2–5.0 lipophilic); b solubility (<0.01 highly insoluble, 0.01–0.10 insoluble, >0.10 soluble); c Caco permeability (<1.0 × 10−6 poorly permeable, 1.0–7.0 × 10−6 moderately permeable, >7.0 × 10−6 highly permeable); d PPB—plasma-protein binding (10–40% weakly bound, 40–80% moderately, 80–90% strongly bound, >90% extensively bound); e CNS < −3.5 non-penetrant, −3.50–(−3.0) weak penetrant, >−3.0 penetrant); (ACD/Percepta (ver. 14.2.0; Build 2977; ACD/Laboratories, Toronto, ON, Canada).