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. 2015 Jul 17;6(8):861–865. doi: 10.1021/acsmedchemlett.5b00048

Table 2. Effect of Pyridine Substitution on CYP11B2 and B1 Inhibition and LLE.

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Cpd R hCYP11B2a (IC50, nM) hCYP11B1a (IC50, nM) LLEb
7 F 558 >10000 3.86
8 CF3 486 >10000 3.18
9 CO2CH3 58 2198 5.19
10 C(O)NHCH3 >8333 >8333 <3.68
11 C(O)N(CH3)2 >8333 >8333 <3.47
12 SO2CH3 >8333 >8333 <3.36
13 SO2Ph 40 1501 4.10
14 C(CH3)2OH 283 >8333 4.38
15 C(CH3)2OCH3 19 219 5.14
16 C(CH3)2 CO2CH3 19 317 4.76
17   5 407 5.20
a

IC50s calculated from n ≥ 2, see Supporting Information for details.

b

Ligand lipophilic efficiency; LLE = pIC50 – aLogP98.