Table 5. IC50 Values Determined from Full Dose–Response Curve Measurements for the Six Selected Compoundsa.
| IC50
(μM) |
||||
|---|---|---|---|---|
| compound identifier | OATP1B1 | OATP1B3 | OATP2B1 | SMILES code |
| H5 | ∼25 | 6.95 | 0.39 | COC(=O)c1c2CCCCCc2sc1NC(=O)CN3C(=O)NC4(CCc5ccccc5C4)C3=O |
| G4 | no effect | no effect | ∼6 | CCC(C)c1ccc(cc1)N2C(=Nc3ccccc3C2=O)SCC(=O)N4C(C)Cc5ccccc45 |
| E5 | 7.61 | 7.50 | 1.48 | Fc1cc(F)cc(c1)C(=O)NCc2cn(Cc3ccccc3)nc2c4ccccc4 |
| C7 | >10 | 5.4 | 0.04 | OC(=O)c1cc(\C=C\c2c(nc3ccccn23)c4ccccc4)nc5ccccc15 |
| E3 | 2.69 | 1.53 | 1.32 | CN1C(=O)NC(=O)c2c1nc(N\N=C/3\C(=O)Nc4ccccc34)n2CCCc5ccccc5 |
| B4 | ∼10 | ∼10 | 2.37 | [O][N+](=O)c1ccccc1CC(=O)NCC2CC3c4ccccc4C2c5ccccc35 |
a
Best values for each transporter are shown in bold.