Compounds mapped to ENT1 inhibitor pharmacophore with corresponding fit and estimated IC50 values, and literature reported IC50 values
| Compound | Fit Value | Estimate IC50 | Reported IC50 |
|---|---|---|---|
| µM | µM | ||
| Dilazep | 5.69199 | 2.01238 | 0.009 (Vlachodimou et al., 2020) 0.330 0.0012 (Rehan et al., 2015) |
| Rabacfosadine | 5.13737 | 7.21657 | N/A |
| Darunavir | 4.50727 | 30.7916 | 85.98 (Miller et al., 2021) |
| GS-6620 | 3.83753 | 143.936 | 12.7 (Miller et al., 2021) |
| GS-9667 | 2.37685 | 4157.69 | 4.3 (Miller et al., 2021) |
N/A, not available.