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. 2011 Aug 16;133(35):14136–14148. doi: 10.1021/ja205884y

Table 2. Overview of Transport Assays and Lipophilicity of Compounds 110.

compound clog Pa kinib (Cl/NO3) EC50, 270sc (Cl/NO3) nd (Cl/NO3) kinie (Cl/HCO3) EC50, 270sc (Cl/HCO3) nd (Cl/HCO3)
  Urea-Based Compounds
1 2.06 0.081 5.6 1.2 0.024 >5 f f
2 2.53 0.571 0.43 1.4 0.081 >5 f f
3 4.43 1.84 0.24 1.4 0.250 g g
4 4.82 1.35 0.052 1.1 0.46 0.24 1.2
5 7.59 1.01 0.0044 1.6 0.77 0.036 1.5
  Thiourea-Based Compounds
6 5.50 0.97 0.31 1.9 0.186 2.3 1.0
7 5.97 3.3 0.042 2.9 0.47 0.35 1.2
8 7.87 3.2 0.032 2.4 0.38 g g
9 8.26 1.18 0.077 4.8 0.47 0.11 4.8
10 11.03 0.90 0.042 5.0 0.76 0.14 3.8
a

clog P calculated using Spartan ’08 for Macintosh (Ghose–Crippen model).

b

Initial rate of chloride efflux for 2% molar carrier to lipid (% s–1).

c

EC50, 270s defined as concentration (mol % carrier to lipid) needed to obtain 50% efflux after 270 s.

d

Hill coefficient.

e

Initial rate of chloride efflux (after addition of NaHCO3) for 2% carrier to lipid (% s–1).

f

Accurate Hill analysis could not be performed due to low activity.

g

Meaningful Hill analysis could not be performed due to significant background transport in the absence of NaHCO3 (HCl symport and/or Cl/SO42– antiport).