Assay Detail
ADMET
CHEMBL663575
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Inhibition of recombinant human Cytochrome P450 3A4 using BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 30 minutes
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Fluorine substitution can block CYP3A4 metabolism-dependent inhibition: identification of (S)-N-[1-(4-fluoro-3- morpholin-4-ylphenyl)ethyl]-3- (4-fluorophenyl)acrylamide as an orally bioavailable KCNQ2 opener devoid of CYP3A4 metabolism-dependent inhibition.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 4 | 5.42 | 7.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 7.77 |
| CHEMBL100379 | — | — | 1 | 4.72 |
| CHEMBL564085 | TROLEANDOMYCIN | 4.0 | 1 | 4.70 |
| CHEMBL317935 | — | — | 1 | 4.48 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL100379 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL564085 | TROLEANDOMYCIN | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL317935 | — | IC50 | = | 33000.0 | nM | 4.48 |