Lu1
Target ID: CHEMBL613290
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ANDROGRAPHOLIDE | C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O | IG50: 30.0 uM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [7*]C1C(=O)OC[C@H]1O | None | 39 |  |
| [7*]CC[8*] | None | 39 |  |
| [8*]CO | None | 39 |  |
| C=C1CC[C@@H]2CCCCC2[C@@H]1C/C=C1\CCOC1=O | None | 39 |  |
| [15*][C@@H]1C(=C)CC[C@@H]2[C@@]([15*])(C)[C@H](O)CC[C@@]12C | None | 39 |  |