Table 1. Effect of Triazole Substitution on CYP11B2 and B1 Inhibition and LLE.
Cpd | R | CYP11B2a (IC50, nM) | CYP11B1a (IC50, nM) | B1/B2b | LLEc |
---|---|---|---|---|---|
1 | H | 300 | >10000 | >33 | 4.59 |
2 | Me | 423 | >10000 | >24 | 4.18 |
3 | c-Pr | 487 | >10000 | >21 | 3.36 |
4 | CF3 | 506 | >8333 | >16 | 3.02 |
5 | Cy | 2400 | >8333 | >3 | 1.30 |
6 | Ph | 103 | 1357 | 13 | 3.13 |
IC50s calculated from n ≥ 2, see Supporting Information for details.
Ratio of hCYP11B1 IC50/hCYP11B2 IC50.
Ligand lipophilic efficiency; LLE = pIC50 – aLogP98.