Table 1.
Experimental permeability in MDR1-MDCK cell monolayers and calculated ΔGtr and logS values for compounds 1-16.
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Compound | 1 | 2 | 3 | 4 | 5 | ||
Papp (nm/sec) |
A to B | 244 | 106 | 218 | 196 | 203 | |
B to A | 296 | 167 | 310 | 318 | 364 | ||
effluxx ratio | 1.2 | 1.6 | 1.4 | 1.6 | 1.8 | ||
ΔGtr | 5.41 | 9.58 | 8.77 | 7.68 | 8.17 | ||
−logS | 4.62 | 2.74 | 5.92 | 4.99 | 4.01 |
R1 = | ![]() |
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Compound | 6 | 7 | 8 | 9 | 10 | 11 | |
Papp (nm/sec) |
A to B | 47.5 | 117 | 145 | 103 | 5.1 | 84.1 |
B to A | 428 | 249 | 342 | 455 | 29.4 | 257 | |
effluxx ratio | 9.0 | 2.1 | 2.4 | 4.4 | 5.8 | 3.1 | |
ΔGtr | 12.6 | 10.1 | 7.82 | 7.97 | 13.0 | 8.17 | |
−logS | 5.27 | 5.96 | 5.46 | 4.97 | 4.03 | 4.04 | |
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R2 = | ![]() |
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Compound | 12 | 13 | 14 | 15 | 16 | ||
Papp (nm/sec) |
A to B | 232 | 239 | 246 | 177 | 43.1 | |
B to A | 198 | 192 | 211 | 200 | 134 | ||
effluxx ratio | 0.85 | 0.81 | 0.86 | 1.1 | 3.1 | ||
ΔGtr | 8.1 | 8.56 | 7.65 | 10.2 | 11.0 | ||
−logS | 3.62 | 3.60 | 3.34 | 3.00 | 2.81 |