Table 3.
Ion channel inhibition data from the PX and HTS platforms.
| NCE | PX hERG IC50 (μM) | PX hNav1.5 IC50 (μM) | PX IKs IC50 (μM) | HTS hCav1.2 IC50 (μM) | HTS MK-499 IC50 (μM) | HTS hNav1.5 IC50 (μM) |
|---|---|---|---|---|---|---|
| 1 | 0.01 | 8.3 | ND | 3.25 | 0.01 | 43 |
| 2 | 0.95 | 9.4 | 270 | ND | NA | NA |
| 3 | 26.5 | ND | ND | ND | 26 | NA |
| 4 | 1 | 0.6 | 100 | ND | NA | NA |
| 5 | 0.007 | 6.7 | ND | 3 | 1.1 | 5.3 |
| 6 | 2.6 | 11 | 5.9 | 0.1 | NA | NA |
| 7 | 42 | ND | ND | ND | NA | NA |
| 8 | 12 | 68 | 5.7 | 7.4 | 3.1 | 12.4 |
| 9 | 36 | 15 | 79 | 16.2 | 9.9 | 0.5 |
| 10 | 18 | 14 | ND | ND | NA | NA |
| 11 | 8.2 | 48 | 100 | 12.6 | 24.7 | ND |
| 12 | 27 | 68 | 150 | ND | NA | NA |
| 13 | 0.86 | 100 | ND | 5.1 | 0.3 | 3.5 |
| 14 | 27 | 75 | ND | 13.3 | 10.8 | 4.7 |
| 15 | 55 | ND | ND | ND | 53 | ND |
| 16 | 25 | ND | ND | ND | NA | NA |
| 17 | 15 | 43 | 21 | 16.9 | 32.6 | 39 |
| 18 | 21 | 94 | ND | 13.4 | 34.3 | 12.9 |
| 19 | 40 | 45 | 6 | 27 | 2.2 | ND |
| 20 | 27 | ND | ND | 79 | 49 | ND |
| 21 | 11 | 19 | 13 | ND | NA | NA |
| 22 | 26 | 43 | 150 | 35 | 41.6 | 15.2 |
| 23 | 31 | 45 | ND | ND | NA | NA |
| 24 | 6.4 | 100 | ND | 11 | 47 | 14 |
| 25 | 8.1 | 36 | ND | ND | NA | NA |
| 26 | 0.58 | 11 | 44 | ND | NA | NA |
| 27 | 50 | ND | ND | ND | 38 | ND |
| 28 | 14 | ND | ND | 21.4 | 34.9 | ND |
| 29 | 40 | 50 | ND | 2.8 | 46 | 136 |
| 30 | 11 | ND | ND | ND | 32.3 | ND |
| 31 | 22 | ND | ND | ND | 33 | ND |
| 32 | 23 | 36 | ND | ND | NA | NA |
| 33 | 48 | 4.1 | 38 | 19 | 5.7 | 29.4 |
| 34 | 22 | 55 | ND | 7 | 41.9 | 23.4 |
| 35 | 26 | ND | ND | 21.5 | 31.2 | ND |
| 36 | 4.5 | 16 | 63 | ND | NA | NA |
| 37 | 29 | ND | ND | 115 | 39 | 29 |
| 38 | 12 | 42 | ND | 6.9 | 6.4 | 10.9 |
| 39 | 10 | 94 | ND | 27.9 | 10.4 | 19.2 |
| 40 | 21 | 19 | ND | 43 | 56.5 | ND |
| 41 | 8.5 | 38 | ND | ND | NA | NA |
| 42 | 26 | 4 | 15 | 16.4 | 11.1 | 12.7 |
| 43 | 35 | ND | 83 | 18.6 | 50 | ND |
| 44 | 47 | 21 | 29 | 13.8 | 18.4 | 28.8 |
| 45 | 58 | ND | ND | ND | 28 | ND |
| 46 | 5.3 | ND | ND | 107 | 10.9 | 94 |
| 47 | 12 | 36 | 115 | 18.4 | 19.8 | 15.1 |
| 48 | 56 | 68 | 48 | 28.7 | 47.2 | 88 |
| 49 | 44 | 60 | ND | 9.1 | ND | 83 |
| 50 | 82 | 53 | ND | ND | NA | NA |
| 51 | 0.95 | 45 | ND | 17.5 | 3.6 | ND |
| 52 | 19 | 150 | 83 | ND | 6.3 | 31.8 |
| 53 | 5.4 | ND | ND | 300 | NA | NA |
| 54 | 2.5 | 60.9 | 15 | 3.12 | NA | NA |
| 55 | 2.1 | 23 | 300 | 0.785 | 1.7 | 5.6 |
| 56 | 1 | 70 | 106 | 3 | 16.1 | ND |
| 57 | 4.8 | 0.94 | 300 | ND | 26.7 | ND |
| 58 | 0.14 | 638 | 31 | 2.3 | 0.42 | 2.8 |
| 59 | 0.33 | 7.5 | 95 | 10 | NA | NA |
| 60 | 25 | ND | ND | 26 | NA | NA |
| 61 | 1.8 | 17 | 14 | 4.9 | 3 | ND |
| 62 | 4.3 | 15 | 3.7 | 0.47 | 3.8 | 31 |
| 63 | 9.1 | 90 | 300 | 0.195 | 3.8 | 7.5 |
| 64 | 1.5 | 300 | 300 | 4.1 | ND | ND |
| 65 | 1.1 | 12 | 60 | 1.3 | 3.6 | ND |
| 66 | 2.2 | 300 | 300 | 1.75 | 3.3 | 20.3 |
| 67 | 0.14 | ND | ND | ND | NA | NA |
| 68 | 4 | ND | ND | 19.04 | 22.9 | 19.5 |
| 69 | 2 | ND | ND | 20.4 | ND | ND |
| 70 | 5 | 53.3 | 300 | ND | 19.5 | ND |
| 71 | 11 | 13.5 | ND | 3.087 | NA | NA |
| 72 | 83 | 35 | ND | ND | NA | NA |
| 73 | 3.3 | 6.9 | 13.6 | 1.251 | NA | NA |
ND: An IC50 was not determined, no meaningful inhibition (<10% inhibition) was observed at the highest tested concentration (30 μM), NA: No data is available: the NCE was not tested.