Huh-7
Target ID: CHEMBL614039
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| EMETINE | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | IC50: 40.0 nM |  |
| EDATREXATE | CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 | IC50: 0.63 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [8*]CC([8*])CC | 9.2 | 39 |  |
| c1ccc(CCc2cnc3ncncc3n2)cc1 | 9.2 | 39 |  |
| [14*]c1cnc2nc(N)nc(N)c2n1 | 9.2 | 39 |  |
| [5*]N[5*] | 9.2 | 39 |  |
| [16*]c1ccc([16*])cc1 | 9.2 | 39 |  |