Assay Detail
ADMET
CHEMBL1908255
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Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)
19
Total Activities
10
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Rattus norvegicus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 9 | 6.86 | 8.00 |
| kinact | 9 | - | - |
| mechanism based inhibition | 1 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL253346 | — | — | 2 | 8.00 |
| CHEMBL1908231 | — | — | 2 | 8.00 |
| CHEMBL1908230 | — | — | 2 | 7.70 |
| CHEMBL1908226 | — | — | 2 | 7.05 |
| CHEMBL1908225 | — | — | 2 | 6.60 |
| CHEMBL374163 | — | — | 2 | 6.57 |
| CHEMBL3215311 | — | — | 2 | 6.52 |
| CHEMBL1908223 | — | — | 2 | 6.27 |
| CHEMBL1908220 | — | — | 2 | 5.07 |
| CHEMBL1908224 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL253346 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL1908231 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL1908230 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL1908226 | — | Ki | = | 90.0 | nM | 7.05 |
| CHEMBL1908225 | — | Ki | = | 250.0 | nM | 6.60 |
| CHEMBL374163 | — | Ki | = | 270.0 | nM | 6.57 |
| CHEMBL3215311 | — | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL1908223 | — | Ki | = | 540.0 | nM | 6.27 |
| CHEMBL1908220 | — | Ki | = | 8600.0 | nM | 5.07 |
| CHEMBL1908220 | — | kinact | = | 0.09 | min-1 | - |
| CHEMBL374163 | — | kinact | = | 0.06 | min-1 | - |
| CHEMBL1908223 | — | kinact | = | 0.5 | min-1 | - |
| CHEMBL1908224 | — | mechanism based inhibition | - | — | - | |
| CHEMBL1908225 | — | kinact | = | 0.8 | min-1 | - |
| CHEMBL1908226 | — | kinact | = | 0.1 | min-1 | - |
| CHEMBL253346 | — | kinact | = | 0.3 | min-1 | - |
| CHEMBL1908230 | — | kinact | = | 0.07 | min-1 | - |
| CHEMBL1908231 | — | kinact | = | 0.07 | min-1 | - |
| CHEMBL3215311 | — | kinact | = | 0.02 | min-1 | - |