Table 2. Overview of Transport Assays and Lipophilicity of Compounds 1–10.
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 |
clog P calculated using Spartan ’08 for Macintosh (Ghose–Crippen model).
Initial rate of chloride efflux for 2% molar carrier to lipid (% s–1).
EC50, 270s defined as concentration (mol % carrier to lipid) needed to obtain 50% efflux after 270 s.
Hill coefficient.
Initial rate of chloride efflux (after addition of NaHCO3) for 2% carrier to lipid (% s–1).
Accurate Hill analysis could not be performed due to low activity.
Meaningful Hill analysis could not be performed due to significant background transport in the absence of NaHCO3 (HCl symport and/or Cl–/SO42– antiport).