Table 3 Measured solubility in fasted and fed state simulated intestinal fluids (FaSSIF and FeSSIF), fasted state simulated gastric fluid (FaSSGF), and pH 7.4 phosphate buffered saline
From: An in vitro toolbox to accelerate anti-malarial drug discovery and development
Compound | Solubility (µg/mL)/(µM)a | |||
|---|---|---|---|---|
FaSSGF (1 h) | FaSSIF-V2 (5–6 h) | FeSSIF-V2 (5–6 h) | PBS7.4 (5–6 h) | |
Ionized or partially ionized bases at physiological pH | ||||
 Cycloguanil | > 2000/> 7950 | > 2000/> 7950 | 533/2120 | > 2000/> 7950 |
 Doxycyclin | > 2000/> 4500 | > 2000/> 4500 | > 2000/> 4500 | > 2000/> 4500 |
 Pyronaridine | > 2000/> 3800 | > 2000/> 3860 | > 2000/> 3800 | 357/689 |
 Proguanil | > 2000/> 7880 | > 2000/> 7880 | > 2000/> 7880 | > 2000/> 7880 |
 Primaquine | > 2000/> 7700 | > 2000/> 7700 | > 2000/> 7700 | > 2000/> 7700 |
 Chloroquine | > 2000/> 6250 | > 2000/> 6250 | > 2000/> 6250 | > 2000/> 6250 |
 Chlorproguanil | > 2000/> 6940 | 1100/3810 | 1670/5780 | 1420/4930 |
 Azithromycin | 1180/1570 | 1440/1930 | > 2000/> 2670 | > 2000/> 2670 |
 AQ-13 | > 2000/> 6850 | > 2000/> 6850 | > 2000/> 6850 | 1480/5070 |
 Quinine | 1925/5930 | 1960/6050 | 1930/5930 | 806/2480 |
 Clindamycin | > 2000/> 4700 | > 2000/> 4700 | > 2000/> 4700 | > 2000/> 4700 |
 KAF156 | > 2000/> 4850 | 1600/3880 | > 2000/> 4850 | 560/1360 |
 M5717 | > 3000/> 6490b | > 3000/> 6490b | > 3000/> 6486b | > 3000/> 6490b |
 OZ277 | > 2000/> 5000 | > 2000/> 5100 | > 2000/> 5000 | 198/504 |
 Mefloquine | 740/1960 | 584/1540 | > 2000/> 5200 | 290/767 |
 Amodiaquine | > 2000/> 5620 | 1120/3150 | > 2000/> 5620 | 26.3/73.9 |
 NPC1161B | 1520/3500 | 19.9/45.8 | > 2000/> 4600 | 5.44/12.5 |
 Ferroquine | > 2000/> 4600 | 320/738 | > 2000/> 4600 | 4.9/11 |
 Naphthoquine | > 2000/> 4880 | 410/1000 | 941/2300 | 28.5/69.5 |
 Tafenoquine | > 2000/> 2800 | 15.8/34.1 | 1310/2820 | 18.3/39.5 |
 MMV253 | > 2000/> 4300 | 569/1220 | > 2000/> 4300 | 19.0/40.8 |
 MMV052 | 13.0/24.7 | 1140/2170 | > 2000/> 3800 | 49.6/94.3 |
 Piperaquine | > 2000/> 3700 | 103/192 | 60.7/113 | < 0.5/< 0.9 |
 Halofantrine | 12.7/25.4 | 69.9/140 | 739/1480 | < 0.05/< 0.1 |
 TDD-E209 | 211/421 | 87.2/174 | > 2000/> 4000 | 0.056/0.112 |
 Lumefantrine | 12.6/23.8 | 0.063/0.119 | 14.4/27.2 | < 0.05/< 0.1 |
Ionized acids at physiological pH | ||||
 Sulfadoxine | 324/1040 | 858/2770 | 474/1530 | > 1900/> 6400 |
 Sulfamethoxazole | 758/2990 | > 2000/> 7900 | > 2000/> 7900 | > 2000/> 7900 |
 Artesunate | 321/835 | 1690/4390 | 1720/4490 | 1680/4370 |
 Atovaquone | 0.26/0.71 | 1.83/4.99 | 6.41/17.5 | < 0.05/< 0.1 |
Zwitterionic or partially zwitterionic at physiological pH | ||||
 P218 | > 2000/> 5550 | 408/1130 | 525/1460 | 1070/2960 |
 JPC3210 | 213/535 | 7.60/19.1 | 131/329 | 0.800/2.01 |
Neutral at physiological pH | ||||
 Dapsone | 946/3810 | 323/1300 | 423/1700 | 227/914 |
 Dihydroartemisinin | 140/492 | 159/559 | 246/865 | 130/457 |
 DSM421 | 116/324b | 92.7/259b | 119/332b | 85.5/239 |
 Pyrimethamine | > 2000/> 8000 | 111/446 | 120/483 | 43/175 |
 MMV048 | 1200/3040 | 6.73/17.1 | 7.47/19.0 | 4.52/11.5 |
 Artemisone | 89.1/222 | 115/286 | 278/692 | 86.1/214 |
 Artemether | 95/320 | 166/556 | 1040/3480 | 109/365 |
 SJ733 | > 2000/> 4270 | 101/216 | 119/254 | 115/246 |
 DSM265 | 6.84/16.5b | 5.12/12.3b | 27.6/66.5b | 2.04/4.9 |
 KAE609 | 1540/3940 | 111/284 | 1240/3180 | 30.4/77.9 |
 OZ439 | 79.0/168 | 40.6/87 | 526/1120 | 0.085/0.181 |
 ELQ300 | 0.929/1.95 | 0.524/1.10 | 0.065/0.137 | 0.102/0.214 |