Assay Detail
ADMET
CHEMBL2185188
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Time dependent inhibition of CYP3A4
8
Total Activities
4
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kinact | 4 | - | - |
| Ki | 4 | 5.37 | 6.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL623 | NEFAZODONE | 4.0 | 2 | 6.00 |
| CHEMBL45816 | MIBEFRADIL | 4.0 | 2 | 5.64 |
| CHEMBL553 | ERLOTINIB | 4.0 | 2 | 5.20 |
| CHEMBL433764 | — | — | 2 | 4.64 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL623 | NEFAZODONE | Ki | = | 1000.0 | nM | 6.00 |
| CHEMBL45816 | MIBEFRADIL | Ki | = | 2300.0 | nM | 5.64 |
| CHEMBL553 | ERLOTINIB | Ki | = | 6300.0 | nM | 5.20 |
| CHEMBL433764 | — | Ki | = | 23000.0 | nM | 4.64 |
| CHEMBL433764 | — | Kinact | = | 0.08 | /min | - |
| CHEMBL45816 | MIBEFRADIL | Kinact | = | 0.4 | /min | - |
| CHEMBL553 | ERLOTINIB | Kinact | = | 0.035 | /min | - |
| CHEMBL623 | NEFAZODONE | Kinact | = | 0.094 | /min | - |