Table 4. Physicochemical Property Effects on Permeability and Protein Binding.
compd | TPSA (Å2) | HBD | LogD7.4 | MDCKa Papp A:B (10–6 cm/s)/ratio (A:B/B:A) | mouse PPB (%) |
---|---|---|---|---|---|
2 | 46 | 2 | 1.4 | 9.4/0.5 | 99.3 |
4 | 46 | 2 | 0.8 | 7.4/1.0 | ND |
16 | 67 | 3 | –0.3 | 0.5/1.8 | ND |
18 | 58 | 3 | 2.4 | 1.0/2.8 | >99.9 |
25 | 49 | 2 | 2.1 | 1.7/0.9 | >99.9 |
29-R | 58 | 2 | 0.6 | 3.4/0.9 | 99.1 |
31 | 58 | 2 | 1.3 | 6.0/1.4 | >99.9 |
The MDCK assay23 was used as an indicator of cell permeability.