Prediction of the extent of inhibition of P-gp by the major metabolites of verapamil using pharmacophore models described in this and a previous study
| Molecule | In Vitro IC505-a | Predicted IC50 | Predicted Ki | |||
|---|---|---|---|---|---|---|
| Digoxin Transport Model | Vinblastine Binding Model | Verapamil Binding | Vinblastine Accumulation | Calcein Accumulation | ||
| μM | μM | μM | ||||
| D-617 | >100 | 35 | 88 | 96 | 83 | 440 |
| D-620 | >100 | 16 | 95 | 88 | 87 | 420 |
| D-703 | 1.6 | 0.74 | 79 | 5 | 1.7 | 35 |
| Norverapamil | 0.3 | 0.3 | 2 | 4.1 | 2.9 | 6.6 |
↵5-a Pauli-Magnus et al. (2000).