SET-2
Target ID: CHEMBL4523566
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| AT-9283 | O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 | PPB: 81.5 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 | None | 39 |  |
| [15*]C1CC1 | None | 39 |  |
| [5*]N1CCOCC1 | None | 39 |  |
| [5*]N[5*] | None | 39 |  |
| [1*]C([1*])=O | None | 39 |  |