Assay Detail
ADMET
CHEMBL2185201
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Time dependent inhibition of CYP2C19
4
Total Activities
2
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 |
|---|---|---|---|
| Ki | 2 | 5.16 | 5.48 |
| Kinact | 2 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL833 | TICLOPIDINE | 4.0 | 2 | 5.48 |
| CHEMBL1771 | CLOPIDOGREL | 4.0 | 2 | 4.84 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL833 | TICLOPIDINE | Ki | = | 3300.0 | nM | 5.48 |
| CHEMBL1771 | CLOPIDOGREL | Ki | = | 14300.0 | nM | 4.84 |
| CHEMBL1771 | CLOPIDOGREL | Kinact | = | 0.055 | /min | - |
| CHEMBL833 | TICLOPIDINE | Kinact | = | 0.07 | /min | - |