Table 1. Initial Benzoxaborole–Benzimidazole Amide Leadsa.
ID | link atom | n | R | O. volvulus IC50 (μM)31,32 | G2/M arrest IC50 (μM)33 | MDCK-MDR1 Papp (A-B, ×106 cm/s)34−36 |
---|---|---|---|---|---|---|
1 | NA | NA | NA | 0.004 | 0.67 | 15.6 |
7a | 6 | 0 | 4.55 | >100 | NT | |
7b | 6 | 0 | 3,3-Me2 | >10 | NT | NT |
8a | 6 | 1 | 3,3-Me2 | 0.300 | 13 | 0.8 |
8b | 3 | 1 | 0.426 | 10 | NT | |
8c | 6 | 1 | 0.421 | >100 | NT | |
8d | 5 | 1 | 3,3-Me2 | 0.042 | 2.54 | 0.5 |
9a | 6 | 2 | 3,3-Me2 | 0.004 | 0.555 | 0.7 |
12a | 6 | 0 | 3,3-Me2 | >10 | >100 | NT |
NT = not tested.