Assay Detail
ADMET
CHEMBL1743430
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Mechanism based inhibition of human cytochrome P450 3A4
6
Total Activities
3
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 3 | 4.82 | 5.26 |
| Kinact | 3 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1741 | CLARITHROMYCIN | 4.0 | 2 | 5.26 |
| CHEMBL481 | IRINOTECAN | 4.0 | 2 | 4.62 |
| CHEMBL837 | 7-ETHYL-10-HYDROXYCAMPTOTHECIN | 2.0 | 2 | 4.58 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1741 | CLARITHROMYCIN | Ki | = | 5490.0 | nM | 5.26 |
| CHEMBL481 | IRINOTECAN | Ki | = | 24000.0 | nM | 4.62 |
| CHEMBL837 | 7-ETHYL-10-HYDROXYCAMPTOTHECIN | Ki | = | 26000.0 | nM | 4.58 |
| CHEMBL1741 | CLARITHROMYCIN | Kinact | = | 0.072 | min-1 | - |
| CHEMBL481 | IRINOTECAN | Kinact | = | 0.06 | min-1 | - |
| CHEMBL837 | 7-ETHYL-10-HYDROXYCAMPTOTHECIN | Kinact | = | 0.1 | min-1 | - |