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. 2015 Apr 7;6(5):573–578. doi: 10.1021/acsmedchemlett.5b00054

Table 1. Effect of Benzimidazole N-Substitution on CYP11B2 and B1 Inhibition and LLE.

graphic file with name ml-2015-000548_0003.jpg

compd R CYP11B2a (IC50, nM) CYP11B1a (IC50, nM) B1/B2b LLEc
1 Me 12 677 56 5.39
2 H >10000 1987 <1 n.d.
3 Et 35 2101 60 4.57
4 i-Pr 138 3923 28 3.60
5 c-Pr 4 401 100 5.38
6 (Me)c-Pr 16 2857 179 4.57
7 t-Bu >5000 >10000 n.d. n.d.
8 c-Bu >5000 >10000 n.d. n.d.
9 CH2CF3 561 >8333 >15 2.71
10 Bn 607 >8333 >14 2.10
a

Assay details reported in Supporting Information.

b

Ratio of hCYP11B1 IC50/hCYP11B2 IC50.

c

Ligand lipophilic efficiency; LLE = pIC50 – a Log P98.