Assay Detail
ADMET
CHEMBL3868076
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Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysis
15
Total Activities
14
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
Design, synthesis, and evaluation of (2S,4R)-Ketoconazole sulfonamide analogs as potential treatments for Metabolic Syndrome.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 6.80 | 7.06 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3960724 | — | — | 1 | 7.06 |
| CHEMBL3968178 | — | — | 1 | 7.00 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 2 | 6.88 |
| CHEMBL75 | — | — | 1 | 6.87 |
| CHEMBL3891718 | — | — | 1 | 6.84 |
| CHEMBL3952032 | — | — | 1 | 6.82 |
| CHEMBL3980889 | — | — | 1 | 6.82 |
| CHEMBL3983734 | — | — | 1 | 6.80 |
| CHEMBL3913908 | — | — | 1 | 6.79 |
| CHEMBL3922888 | — | — | 1 | 6.73 |
| CHEMBL3964421 | — | — | 1 | 6.73 |
| CHEMBL3894912 | — | — | 1 | 6.70 |
| CHEMBL3931836 | — | — | 1 | 6.65 |
| CHEMBL3938615 | — | — | 1 | 6.47 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3960724 | — | IC50 | = | 87.0 | nM | 7.06 |
| CHEMBL3968178 | — | IC50 | = | 99.0 | nM | 7.00 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 133.0 | nM | 6.88 |
| CHEMBL75 | — | IC50 | = | 136.0 | nM | 6.87 |
| CHEMBL3891718 | — | IC50 | = | 145.0 | nM | 6.84 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 146.0 | nM | 6.84 |
| CHEMBL3952032 | — | IC50 | = | 153.0 | nM | 6.82 |
| CHEMBL3980889 | — | IC50 | = | 151.0 | nM | 6.82 |
| CHEMBL3983734 | — | IC50 | = | 158.0 | nM | 6.80 |
| CHEMBL3913908 | — | IC50 | = | 162.0 | nM | 6.79 |
| CHEMBL3922888 | — | IC50 | = | 185.0 | nM | 6.73 |
| CHEMBL3964421 | — | IC50 | = | 185.0 | nM | 6.73 |
| CHEMBL3894912 | — | IC50 | = | 198.0 | nM | 6.70 |
| CHEMBL3931836 | — | IC50 | = | 226.0 | nM | 6.65 |
| CHEMBL3938615 | — | IC50 | = | 336.0 | nM | 6.47 |