Plasma
Target ID: CHEMBL613424
Organism: Homo sapiens
Type: TISSUE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| RAZAXABAN | CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 | Ki: 0.19 nM |  |
| AMOXICILLIN | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O | MIC: 0.021 ug.mL-1 |  |
| TOFACITINIB | C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 | IC50: 13.0 nM |  |
| LETAXABAN | O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1 | Stability: 16.4 % |  |
| ARGATROBAN | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1 | IC50: 9.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 8.73 | 71 |  |
| [6*]C(=O)O | 8.05 | 45 |  |
| [5*]N1CC[C@@H](C)[C@@H]([15*])C1 | 7.89 | 39 |  |
| [14*]c1ncnc2[nH]ccc12 | 7.89 | 39 |  |
| [5*]N([5*])C | 7.89 | 39 |  |