Table 6. In Vitro ADME Properties of Selected Compoundsd.
| compound | 8 | 12 | 39 | 40 | 45 | 47 | 50 |
|---|---|---|---|---|---|---|---|
| clog Pa | 1.82 | 1.36 | 1.30 | 2.52 | 1.46 | 0.66 | 1.54 |
| clog Da | 1.82 | 1.36 | 1.09 | 2.52 | 1.46 | 1.09 | 1.40 |
| solubility (μM)b | 120 | 200 | 50 | 15 | 25 | 90 | 160 |
| MSc H/R/Mo % remaining after 30 min | 65/54/45 | >99/92/>99 | >99/>99/93 | 98/98/96 | >99/96/>99 | 80/95/94 | ND |
| PPBd human fu | ND | 0.006 | 0.014 | 0.013 | ND | 0.009 | 0.03 |
Calculated log P/log D (StarDrop).
Kinetic solubility measured at pH 7.4.
Microsomal stability H: human, R: rat Mo: mouse.
PPB; fu—fraction unbound.