THP-1
Target ID: CHEMBL614245
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| NEFLAMAPIMOD | O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl | IC50: 22.0 nM |  |
| PYRIMETHAMINE | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | IC50: 2800.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [14*]c1ccc2c([16*])c(=O)ncn2n1 | 7.66 | 39 |  |
| O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccccc1 | 7.66 | 39 |  |
| [16*]c1c(Cl)cccc1Cl | 7.66 | 39 |  |
| [11*]S[11*] | 7.66 | 39 |  |
| [16*]c1ccc(F)cc1F | 7.66 | 39 |  |