Table 1.
In vitro data for all compounds defined as active (inhibits pqs system to below 50% at 10 μM). NA denotes inactive compounds which showed a remaining activity above 50% at 10 μM (remaining activity for not active compounds is shown in brackets). Reported values are mean ± SD of n = 2 replicates. cLogP values were calculated using MarvinSketch based on the algorithm outlined by Viswanadhan et al. [41].
| Compound | IC50 value in PAO1-L/nM | IC50 value in PA14/nM | Predicted cLogP values |
|---|---|---|---|
| 6 | 1046 ± 419 | 1578 ± 358.0 | 3.38 |
| 8 | NA (83%) | NA | 2.14 |
| 9 | NA (52%) | NA | 3.03 |
| 10 | NA (79%) | NA | 2.84 |
| 11 | NA (104%) | NA | 2.09 |
| 12 | 397 ± 141.5 | 650 ± 35.1 | 3.94 |
| 13 | 1216 ± 44.0 | 1333 ± 192.5 | 3.57 |
| 14 | 1563 ± 674.0 | 1720 ± 882.0 | 3.73 |
| 15 | 1112 ± 879.5 | 646 ± 90.2 | 4.27 |
| 16 | 1572 ± 1119 | 639 ± 73.5 | 4.02 |
| 17 | 1360 ± 501.0 | 683 ± 156.9 | 4.02 |
| 18 | 313 ± 156.2 | 342 ± 39.4 | 4.17 |
| 19 | 298 ± 182.0 | 265 ± 3.4 | 4.62 |
| 20 | 1327 ± 189.5 | 1308 ± 272.0 | 3.10 |
| 21 | 2048 ± 1241.0 | 2916 ± 1005.5 | 3.64 |
| 22 | 244 ± 49.6 | 123 ± 20.9 | 4.04 |
| 23 | NA (89%) | NA | 3.98 |
| 24 | NA (85%) | NA | 2.13 |
| 25 | 3545 ± 2934.0 | NA | 3.50 |
| 26 | NA (108%) | NA | 1.31 |
| 27 | NA (72%) | NA | 4.00 |
| 28 | NA (83%) | NA | 4.02 |
| 29 | NA (101%) | NA | 2.17 |
| 30 | NA (67%) | NA | 3.55 |
| 31 | NA (85%) | NA | 2.18 |
| 32 | 2942 ± 808.0 | NA | 3.94 |
| 33 | NA (106%) | NA | 4.17 |
| 34 | NA (95%) | NA | 2.93 |
| 35 | NA (65%) | NA | 3.43 |