KCL-22
Target ID: CHEMBL4296452
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| DOVITINIB | CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 | IC50: 65.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=c1[nH]c2ccccc2cc1-c1nc2ccc(N3CCNCC3)cc2[nH]1 | 7.19 | 39 |  |
| [5*]N1CCN(C)CC1 | 7.19 | 39 |  |
| [16*]c1c(N)c2c(F)cccc2[nH]c1=O | 7.19 | 39 |  |
| [14*]c1nc2ccc([16*])cc2[nH]1 | 7.19 | 39 |  |