Table 3. In Vitro Physicochemical and ADME Properties of Derivative 2a.
| water solubility, log S (S in mol L–1) |
PAMPA-GI,bPapp × 10–6 (cm/s) (% MR)c |
|||||
|---|---|---|---|---|---|---|
| compd | log P a | thermodynamic | kinetic | 5 h | 22 h | HLMd (%) |
| 2a | 2.11 | –8.40 | –6.56 | 2.30 (7.3) | 4.20 (3.2) | 99.9 |
a
Lipophilicity was measured through the shake flask method.
b
Permeability assay at different incubation times in gastrointestinal model.
c
% MR: percent membrane retention.
d
Metabolic stability after 60 min in presence of human liver microsomes expressed as percentage of unmodified parent drug.