Inhibition of vinblastine accumulation predictions using pharmacophore models
| Molecule | Observed KIVinblastine Accumulation Model | Predicted IC50 | |
|---|---|---|---|
| Digoxin Transport Model | Vinblastine Binding Model | ||
| μM | μM | ||
| Ergometrine | 100 | 8.3 | 8.3 |
| Troleandomycin | 87.64 | 11 | 1700 |
| Clotrimazole | 29.92 | 74 | 10 |
| Erythromycin | 37.79 | 7.9 | 1700 |
| Fluconazole | 400 | 230 | 8.4 |
| Ketoconazole | 5.27 | 6.7 | 2.6 |
| Miconazole | 26.36 | 8.4 | 0.31 |
| Reserpine | 0.97 | 1.1 | 8.3 |
| Dihydroergotamine | 119.94 | 1.6 | 3.8 |
| Ergocornine | 24.5 | 0.64 | 8.6 |
| Ergocristine | 13.33 | 0.58 | 8.4 |
| Ergotamine | 14.25 | 1.2 | 8.3 |
| Bromocriptine | 3.96 | 3.5 | 8.4 |
| Ergocryptine | 6.43 | 1.9 | 8.4 |
| Dihydroergocristine | 16 | 0.95 | 8.3 |
| Dihydroergocryptine | 19.82 | 0.36 | 8.4 |
| Cyclosporin | 1.3 | 0.9 | 1700 |