Table 2.
In vitro anti-RSV activity, cytotoxicity, and logP values for compounds 3–15a–c.
| Compound |
|
n | logP | CC50 a, µM | IC50 b, µM | SI c |
|---|---|---|---|---|---|---|
| 3a |
|
1 | 2.364 | 497.2 ± 53.2 | 133.7 ± 19.5 | 4 |
| 3b |
|
2 | 2.733 | 982.7 ± 44.2 | 8.9 ± 2.4 | 111 |
| 3c |
|
3 | 3.241 | 228.1 ± 23.5 | 23.9 ± 3.7 | 10 |
| 4a |
|
1 | 3.177 | 669.4 ± 56.4 | 355.3 ± 51.1 | 2 |
| 4b |
|
2 | 3.431 | 390.9 ± 23.1 | 99.5 ± 8.7 | 4 |
| 4c |
|
3 | 3.994 | 152.3 ± 12.1 | 30.5 ± 2.9 | 5 |
| 5a |
|
1 | 2.048 | 413.2 ± 35.1 | 5.0 ± 1 | 83 |
| 5b |
|
2 | 2.387 | 127.3 ± 15.2 | 8.5 ± 2.8 | 15 |
| 5c |
|
3 | 2.906 | 307.0 ± 24.1 | 5.8 ± 0.9 | 53 |
| 6a |
|
1 | 3.127 | 128.8 ± 9.8 | 41.9 ± 3.1 | 3 |
| 6b |
|
2 | 3.573 | 326.0 ± 45.6 | 14.6 ± 1.2 | 22 |
| 6c |
|
3 | 3.959 | 117.1 ± 11.1 | 39.0 ± 4.1 | 3 |
| 7a |
|
1 | 3.483 | 398.7 ± 4.8 | 109.1 ± 10.7 | 4 |
| 7b |
|
2 | 3.93 | 159.4 ± 17.1 | 6.2 ± 2.1 | 26 |
| 7c |
|
3 | 4.386 | 59.1 ± 4.8 | 19.9 ± 2.3 | 3 |
| 8a |
|
1 | 3.261 | 85.2 ± 5.6 | 61.3 ± 3.2 | 1 |
| 8b |
|
2 | 3.584 | 344.7 ± 24.6 | 97.6 ± 8.9 | 3 |
| 8c |
|
3 | 4.345 | 158.6 ± 12.4 | 34.2 ± 1.1 | 5 |
| 9a |
|
1 | 1.951 | 267.0 ± 16.5 | 13.9 ± 2.4 | 19 |
| 9b |
|
2 | 2.081 | 169.2 ± 12.1 | 17.2 ± 1.9 | 10 |
| 9c |
|
3 | 2.746 | 198.5 ± 13.6 | 5.1 ± 0.8 | 39 |
| 10a |
|
1 | 2.403 | 217.2 ± 18.9 | 57.7 ± 2.2 | 4 |
| 10b |
|
2 | 2.66 | 116.9 ± 11.7 | 5.9 ± 1.4 | 20 |
| 10c |
|
3 | 2.708 | 208.0 ± 21.4 | 9.8 ± 2.5 | 21 |
| 11a |
|
1 | 3.742 | 51.3 ± 4.9 | 21.6 ± 2.6 | 2 |
| 11b |
|
2 | 4.06 | 49.4 ± 5.6 | 46.8 ± 7.2 | 1 |
| 11c |
|
3 | 4.472 | 82.8 ± 7.9 | 25.1 ± 3.5 | 3 |
| 12a |
|
1 | 3.061 | 126.4 ± 10.5 | 69.6 ± 16.2 | 2 |
| 12b |
|
2 | 3.503 | 86.0 ± 7.4 | 96.3 ± 3.5 | 1 |
| 12c |
|
3 | 3.911 | 56.5 ± 3.8 | 75.3 ± 7.9 | 1 |
| 13a |
|
1 | 5.354 | 116.4 ± 13.4 | 21.6 ± 1.8 | 5 |
| 13b |
|
2 | 5.743 | 25.5 ± 11.4 | 14.9 ± 1.0 | 2 |
| 13c |
|
3 | 5.982 | 40.2 ± 5.1 | 7.3 ± 0.6 | 5 |
| 14a |
|
1 | 4.387 | 26.4 ± 3.8 | 4.6 ± 1.1 | 6 |
| 14b |
|
2 | 4.48 | 365.7 ± 25.8 | 8.1 ± 0.9 | 45 |
| 14c |
|
3 | 5.122 | 23.9 ± 8.7 | 12.0 ± 2.0 | 2 |
| 15a |
|
1 | 4.35 | 27.5 ± 3.8 | 2.7 ± 0.7 | 10 |
| 15b |
|
2 | 4.825 | 20.1 ± 12.1 | 8.2 ± 0.8 | 2 |
| 15c |
|
3 | 5.213 | 27.8 ± 7.4 | 14.7 ± 2.1 | 2 |
| Ribavirin | <4000 | 80.1 ± 13.5 | 50 |
a CC50 is the median cytotoxic concentration, i.e., the concentration causing 50% cell death. b IC50 is the 50% inhibitory concentration, i.e., the concentration causing a 50% decrease in virus replication. c SI is the selectivity index, i.e., the CC50/IC50 ratio. CC50 and IC50 values are presented as the mean value ± standard deviation. All the values were calculated based on three independent experiments. logP, the octanol–water partition coefficient, was calculated based on the molecular descriptors of compounds using the plugin QikProp. Green means the activity of the compound is more high.