Lymphoblastoid cell
Target ID: CHEMBL614696
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| HEXACHLOROPHENE | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | Control current: 237.4 % |  |
| GENTIAN VIOLET | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-] | Lysis: 100.0 % |  |
| ETHACRYNIC ACID | C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl | mequiv of Na+/kg: 4.14 0-5h |  |
| PYRIMETHAMINE | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | IC50: 2800.0 nM |  |
| BITHIONOL | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | Control current: 198.6 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [14*]c1nc(N)nc(N)c1[16*] | 5.55 | 39 |  |
| [8*]CC | 5.55 | 39 |  |
| [16*]c1ccc(Cl)cc1 | 5.55 | 39 |  |
| c1ccc(-c2cncnc2)cc1 | 5.55 | 39 |  |
| [8*]C[8*] | None | 23 |  |