SN12K1
Target ID: CHEMBL1909241
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| METHOTREXATE | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 | ID50: 6.2 nM |  |
| EUCALYPTOL | CC12CCC(CC1)C(C)(C)O2 | MIC: 800.0 ug.mL-1 |  |
| FLOXURIDINE | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F | IC50: 2.0 nM |  |
| AMIFOSTINE | NCCCNCCSP(=O)(O)O | LD50: 1049.0 mg.kg-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 8.21 | 45 |  |
| c1ccc(NCc2cnc3ncncc3n2)cc1 | 8.21 | 39 |  |
| [4*]C[8*] | 8.21 | 39 |  |
| [5*]N([5*])C | 8.21 | 39 |  |
| [16*]c1ccc([16*])cc1 | 8.21 | 39 |  |