Table 1. Overview of transmembrane anion transport data: EC50, n, initial rate of chloride release (kini), log P and retention times a .
Compound |
EC50 b | Hill parameter n | k ini c | log P d | Retention time (min) | |
1 | 0.00719 | 1.19 | 0.952 | 3.08 | 10.4 | |
2 | 0.00613 | 1.23 | 1.41 | 3.74 | 11 | |
3 | 0.00699 | 1.25 | 1.24 | 4.17 | 11.6 | |
4 | 0.00779 | 1.32 | 1.17 | 4.63 | 12.2 | |
5 | 0.0104 | 1.29 | 1.02 | 4.72 | 11.9 | |
6 | 0.00951 | 1.25 | 1.13 | 5.02 | 12.7 | |
7 | 0.288 | 0.965 | 0.0231 | 7.11 | 14.5 | |
8 | 0.0688 | 1.42 | 0.229 | 2.58 | 8.8 | |
9 | 0.0197 | 1.29 | 0.638 | 2.86 | 9.8 | |
10 | 0.0134 | 1.28 | 0.786 | 3.37 | 10.5 | |
11 | 0.0231 | 1.31 | 0.470 | 3.76 | 11 | |
12 | 0.0260 | 1.29 | 0.494 | 3.2 | 10.4 | |
13 | 0.0208 | 1.18 | 0.474 | 2.92 | 9.6 | |
14 | 0.0155 | 1.27 | 0.661 | 3.49 | 10.3 | |
15 | 0.0236 | 1.37 | 0.444 | 3.62 | 10.5 | |
16 | 0.0221 | 1.29 | 0.510 | 3.76 | 10.8 | |
17 | 0.0167 | 1.48 | 0.830 | 2.68 | 9 | |
18 | 0.0494 | 1.59 | 0.314 | 2.11 | 8.2 | |
19 | 0.197 | 0.853 | 0.0919 | 1.88 | n.d. | |
20 | 0.346 | 1.30 | 0.0368 | 1.03 | 7 | |
21 | 0.0921 | 1.08 | 0.215 | 1.55 | 7.7 | |
22 | 0.0274 | 1.03 | 0.517 | 2.03 | 8.5 | |
23 | 0.0116 | 0.860 | 0.743 | 2.46 | 9.3 | |
24 | 0.00648 | 1.18 | 1.46 | 2.99 | 10.2 | |
25 | 0.005 | 1.19 | 1.50 | 3.52 | 10.9 | |
26 | 0.00451 | 1.51 | 1.52 | 4.02 | 11.5 | |
27 | 0.00312 | 1.07 | 2.63 | 4.79 | 12.1 | |
28 | 0.0038 | 1.10 | 1.63 | 5.1 | 12.6 | |
29 | 0.0053 | 1.33 | 1.54 | 5.36 | 13.1 | |
30 | 0.00731 | 1.15 | 1.09 | 6.14 | 13.8 | |
31 | 0.0113 | 1.20 | 0.941 | 2.24 | 9.2 | |
32 | 0.00668 | 1.05 | 1.01 | 2.84 | 10 | |
33 | 0.0977 | 0.963 | 0.224 | 1.5 | n.d. | |
34 | 0.0157 | 1.32 | 0.744 | 4.4 | 11.5 | |
35 | 0.0116 | 1.20 | 0.708 | 5.94 | 13.1 | |
36 | 0.0123 | 0.857 | 0.321 | 6.46 | n.d. | |
37 | 0.0133 | 1.45 | 0.600 | 4.38 | 11.6 | |
38 | 0.00878 | 1.43 | 1.69 | 3.3 | 11.3 | |
39 | 0.0196 | 1.14 | 0.605 | 3.62 | 10.7 | |
40 | 0.00968 | 1.74 | 1.16 | 4.49 | 11.9 | |
41 | 0.00517 | 1.15 | 1.04 | 6.07 | n.d. | |
42 | 0.0204 | 0.929 | 0.420 | 6.42 | 13.9 | |
43 | 0.0616 e | — e | 0.186 | 7.14 | 10.4 |
an.d. not determined.
bmolar percentage with respect to POPC, mol%.
cValues calculated by fitting the plot of relative chloride release (y) versus time (x) for 0.05 mol% compound to lipid to an asymptotic function y = a – b × cx. The initial rate of chloride release (kini in % s–1) is given by –b ln(c).
dLog P values calculated using ALOGPs 2.1 software.
eDetermined via correlation between kini and EC50 (see ESI).