| Rank | Compound | SMILES | ΔG / kcal M-1 | pIC50 | |
|---|---|---|---|---|---|
| 1 | JOH-SUS-a69c159d-6 |
|
c1ccc2c(c1)c(c(nc2F)F)NC(=O)C3CCOc4c3cc(cc4)Cl | −9.8 ± 0.1 | 7.13 ± 0.09 |
| 2 | JOH-SUS-a69c159d-7 |
|
c1cc2c(cc1F)c(c(nc2F)F)NC(=O)C3CCOc4c3cc(cc4)Cl | −9.7 ± 0.1 | 7.09 ± 0.09 |
| 3 | MAT-POS-8a69d52e-7 |
|
C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl | −7.92 ± 0.10 | 5.77 ± 0.07 |
| 4 | JAG-UCB-706446eb-3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)O | −5.5 ± 0.3 | 4.0 ± 0.2 |