Scores, molecular properties, and inhibitory concentrations of tested drugs (from DrugBank and the PDB)
| Compound | Tanimoto | Log Pa | Percent activityb | IC50 |
|---|---|---|---|---|
| Bifonazole | 0.994 | 4.966 | 16 | 0.83 |
| Econazole | 0.941 | 5.117 | 51 | 2.39 |
| Abiraterone | 0.903 | 4.423 | 20 | 0.44 |
| Paroxetine | 0.884 | 4.053 | 91 | N/D |
| Zimelidine | 0.884 | 0.206 | 76 | N/D |
| Etomidate | 0.936 | 2.399 | 79 | N/D |
| Thioperamide | 0.955 | 2.665 | 91 | N/D |
| Metyrapone | 0.968 | 1.763 | 100 | N/D |
| Ancymidol | 0.861 | 1.122 | 95 | N/D |
| NNK | 1.005 | 0.594 | 96 | N/D |
| Thiamine pyrophosphate | 0.983 | −5.716 | 100 | N/D |
| HQL-79 | 0.874 | 2.654 | 96 | N/D |
HQL-79, 4-(benzhydryloxy)-1-[3-(1H-tetraazol-5-yl)propyl]piperidine; N/D, not determined; NNK, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol.
↵a Log P is calculated using Molinspiration online cheminformatics tools (http://www.molinspiration.com/).
↵b Percent activity at 2:1 compound to cyt c ratio is displayed.