TPC1
Target ID: CHEMBL613836
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| VANDETANIB | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | IC50: 900.0 nM |  |
| SORAFENIB | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | IC50: 12.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 6.98 | 78 |  |
| [15*]C1CCN(C)CC1 | 6.05 | 39 |  |
| [16*]c1cc2[nH]cn/c(=N\c3ccc(Br)cc3F)c2cc1[16*] | 6.05 | 39 |  |
| [4*]C[8*] | 6.05 | 39 |  |
| [3*]OC | 6.05 | 39 |  |