Assay Detail
ADMET
CHEMBL3745190
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Inhibition of human microsomal CYP2A6
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Synthesis, biological activity evaluation and molecular docking studies of novel coumarin substituted thiazolyl-3-aryl-pyrazole-4-carbaldehydes.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 15 | 8.50 | 10.24 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3740883 | — | — | 1 | 10.24 |
| CHEMBL3740902 | — | — | 1 | 8.81 |
| CHEMBL3741757 | — | — | 1 | 8.76 |
| CHEMBL3739596 | — | — | 1 | 8.71 |
| CHEMBL3742383 | — | — | 1 | 8.59 |
| CHEMBL3742224 | — | — | 1 | 8.59 |
| CHEMBL3741819 | — | — | 1 | 8.57 |
| CHEMBL3740871 | — | — | 1 | 8.51 |
| CHEMBL3740860 | — | — | 1 | 8.48 |
| CHEMBL3740335 | — | — | 1 | 8.47 |
| CHEMBL3742302 | — | — | 1 | 8.22 |
| CHEMBL3740529 | — | — | 1 | 7.96 |
| CHEMBL3739579 | — | — | 1 | 7.89 |
| CHEMBL3739672 | — | — | 1 | 7.88 |
| CHEMBL3740695 | — | — | 1 | 7.78 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3740883 | — | Ki | = | 0.057 | nM | 10.24 |
| CHEMBL3740902 | — | Ki | = | 1.54 | nM | 8.81 |
| CHEMBL3741757 | — | Ki | = | 1.73 | nM | 8.76 |
| CHEMBL3739596 | — | Ki | = | 1.93 | nM | 8.71 |
| CHEMBL3742383 | — | Ki | = | 2.58 | nM | 8.59 |
| CHEMBL3742224 | — | Ki | = | 2.57 | nM | 8.59 |
| CHEMBL3741819 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL3740871 | — | Ki | = | 3.07 | nM | 8.51 |
| CHEMBL3740860 | — | Ki | = | 3.27 | nM | 8.48 |
| CHEMBL3740335 | — | Ki | = | 3.41 | nM | 8.47 |
| CHEMBL3742302 | — | Ki | = | 6.02 | nM | 8.22 |
| CHEMBL3740529 | — | Ki | = | 10.97 | nM | 7.96 |
| CHEMBL3739579 | — | Ki | = | 12.96 | nM | 7.89 |
| CHEMBL3739672 | — | Ki | = | 13.2 | nM | 7.88 |
| CHEMBL3740695 | — | Ki | = | 16.62 | nM | 7.78 |