Assay Detail
ADMET
CHEMBL2185189
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Time dependent inhibition of CYP3A4 in human liver microsomes
5
Total Activities
3
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsome |
| Confidence | 9 — Direct 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 | 5.06 | 5.20 |
| Kinact | 2 | - | - |
| IC50 | 1 | 7.82 | 7.82 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL623 | NEFAZODONE | 4.0 | 1 | 7.82 |
| CHEMBL5416410 | DASATINIB | 4.0 | 2 | 5.20 |
| CHEMBL1084546 | PF-00562271 | 1.0 | 2 | 4.92 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL623 | NEFAZODONE | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL5416410 | DASATINIB | Ki | = | 6300.0 | nM | 5.20 |
| CHEMBL1084546 | PF-00562271 | Ki | = | 12000.0 | nM | 4.92 |
| CHEMBL1084546 | PF-00562271 | Kinact | = | 0.23 | /min | - |
| CHEMBL5416410 | DASATINIB | Kinact | = | 0.034 | /min | - |