Assay Detail
ADMET
CHEMBL5255413
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Inhibition of CYP2A6 (unknown origin)
8
Total Activities
8
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 and biological evaluation of coumarin derivatives as selective CYP2A6 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 8 | 6.56 | 7.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5289073 | — | — | 1 | 7.40 |
| CHEMBL450963 | — | — | 1 | 7.30 |
| CHEMBL502746 | — | — | 1 | 6.89 |
| CHEMBL448936 | — | — | 1 | 6.77 |
| CHEMBL496547 | — | — | 1 | 6.70 |
| CHEMBL416 | METHOXSALEN | 4.0 | 1 | 6.34 |
| CHEMBL451623 | — | — | 1 | 5.97 |
| CHEMBL503184 | — | — | 1 | 5.13 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5289073 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL450963 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL502746 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL448936 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL496547 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL416 | METHOXSALEN | IC50 | = | 460.0 | nM | 6.34 |
| CHEMBL451623 | — | IC50 | = | 1060.0 | nM | 5.97 |
| CHEMBL503184 | — | IC50 | = | 7470.0 | nM | 5.13 |