Assay Detail
ADMET
CHEMBL1000805
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Inhibition of human CYP3A4 by radiometric assay
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Sesquiterpenes and flavonol glycosides from Zingiber aromaticum and their CYP3A4 and CYP2D6 inhibitory activities.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 19 | 4.52 | 6.61 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 6.61 |
| CHEMBL519761 | — | — | 1 | 4.84 |
| CHEMBL240954 | — | — | 1 | 4.69 |
| CHEMBL245412 | ZERUMBONE | — | 1 | 4.66 |
| CHEMBL309061 | ERMANIN | — | 1 | 4.66 |
| CHEMBL471074 | — | — | 1 | 4.50 |
| CHEMBL469850 | — | — | 1 | 4.45 |
| CHEMBL165064 | ISOKAEMPFERIDE | — | 1 | 4.44 |
| CHEMBL471072 | — | — | 1 | 4.44 |
| CHEMBL513372 | — | — | 1 | 4.37 |
| CHEMBL512339 | ZERUMBONE EPOXIDE | — | 1 | 4.32 |
| CHEMBL469851 | — | — | 1 | 4.25 |
| CHEMBL469431 | — | — | 1 | 4.23 |
| CHEMBL503727 | — | — | 1 | 4.20 |
| CHEMBL25948 | SHOGAOL | — | 1 | 4.11 |
| CHEMBL470049 | — | — | 1 | 4.05 |
| CHEMBL470048 | — | — | 1 | 4.01 |
| CHEMBL240528 | AFZELIN | — | 1 | - |
| CHEMBL221542 | BETA-SITOSTEROL | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 245.0 | nM | 6.61 |
| CHEMBL519761 | — | IC50 | = | 14400.0 | nM | 4.84 |
| CHEMBL240954 | — | IC50 | = | 20600.0 | nM | 4.69 |
| CHEMBL245412 | ZERUMBONE | IC50 | = | 21800.0 | nM | 4.66 |
| CHEMBL309061 | ERMANIN | IC50 | = | 21800.0 | nM | 4.66 |
| CHEMBL471074 | — | IC50 | = | 31600.0 | nM | 4.50 |
| CHEMBL469850 | — | IC50 | = | 35500.0 | nM | 4.45 |
| CHEMBL165064 | ISOKAEMPFERIDE | IC50 | = | 36200.0 | nM | 4.44 |
| CHEMBL471072 | — | IC50 | = | 36400.0 | nM | 4.44 |
| CHEMBL513372 | — | IC50 | = | 42600.0 | nM | 4.37 |
| CHEMBL512339 | ZERUMBONE EPOXIDE | IC50 | = | 48400.0 | nM | 4.32 |
| CHEMBL469851 | — | IC50 | = | 55800.0 | nM | 4.25 |
| CHEMBL469431 | — | IC50 | = | 59000.0 | nM | 4.23 |
| CHEMBL503727 | — | IC50 | = | 62500.0 | nM | 4.20 |
| CHEMBL25948 | SHOGAOL | IC50 | = | 77700.0 | nM | 4.11 |
| CHEMBL470049 | — | IC50 | = | 90000.0 | nM | 4.05 |
| CHEMBL470048 | — | IC50 | = | 98300.0 | nM | 4.01 |
| CHEMBL240528 | AFZELIN | IC50 | > | 100000.0 | nM | - |
| CHEMBL221542 | BETA-SITOSTEROL | IC50 | > | 100000.0 | nM | - |