NCI-H3122
Target ID: CHEMBL4296475
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CRIZOTINIB | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | IC50: 8.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1cnc(N)c([16*])c1 | 8.1 | 39 |  |
| [16*]c1c(Cl)ccc(F)c1Cl | 8.1 | 39 |  |
| [4*][C@@H]([8*])C | 8.1 | 39 |  |
| [3*]O[3*] | 8.1 | 39 |  |
| [15*]C1CCNCC1 | 8.1 | 39 |  |