Table 7.
In vitro ADME profile of one of the most potent inhibitors NBCoV1.
| Assay Performed | In Vitro ADMET | Inhibitor | |
|---|---|---|---|
| NBCoV1 | |||
| Solubility (µM) | Phosphate buffer, pH7.4 | 4.72 | |
| Caco-2 permeability (mean Papp, × 10−6 cm/s) | NBCoV1 | A-to-B | 16.9 |
| B-to-A | 20.4 | ||
| Efflux Ratio | 1.21 | ||
| NBCoV1 + 1 µM valspodar | A-to-B | 20.5 | |
| B-to-A | 23.6 | ||
| Efflux Ration | 1.15 | ||
| P-gp Substrate classification | - | Negative | |
| Metabolic Stability (human liver microsomes) | Clint (mL/min/mg protein) | 0.0124 | |
| Half-life (min) | 112 | ||
| Protein binding (human plasma) | % bound | >99.5 | |
| Cytochrome P450 inhibition, IC50 (µM) | CYP1A2 (Phenacetin) | 7.40 | |
| CYP2B6 (Bupropion) | 3.19 | ||
| CYP2C8 (Amodiaquine) | 2.08 | ||
| CYP2C9 (Diclofenac) | 5.01 | ||
| CYP2C19 (S-Mephenytoin) | 7.31 | ||
| CYP2D6 (Bufuralol) | >10 | ||
| CYP3A (Midazolam) | >10 | ||
| CYP3A (Testosterone) | >10 | ||