Assay Detail
ADMET
CHEMBL1108441
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Inhibition of CYP3A4 after 30 mins by fluorescence microplate reader assay
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Minor furanocoumarins and coumarins in grapefruit peel oil as inhibitors of human cytochrome P450 3A4.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 7 | 6.22 | 6.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1078189 | — | — | 1 | 6.89 |
| CHEMBL1078190 | — | — | 1 | 6.57 |
| CHEMBL1079119 | — | — | 1 | 5.80 |
| CHEMBL1078442 | BERGAMOTTIN | — | 1 | 5.62 |
| CHEMBL1078068 | — | — | 1 | - |
| CHEMBL307341 | AURAPTENE | — | 1 | - |
| CHEMBL1078441 | R-(+)-MARMIN | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1078189 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL1078190 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL1079119 | — | IC50 | = | 1580.0 | nM | 5.80 |
| CHEMBL1078442 | BERGAMOTTIN | IC50 | = | 2420.0 | nM | 5.62 |
| CHEMBL1078068 | — | IC50 | - | — | - | |
| CHEMBL307341 | AURAPTENE | IC50 | - | — | - | |
| CHEMBL1078441 | R-(+)-MARMIN | IC50 | - | — | - |