Assay Detail
ADMET
CHEMBL664809
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human cytochrome P450 3A4
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 28 | 5.96 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL104 | CLOTRIMAZOLE | 4.0 | 1 | 7.70 |
| CHEMBL163 | RITONAVIR | 4.0 | 1 | 7.52 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 7.30 |
| CHEMBL45816 | MIBEFRADIL | 4.0 | 1 | 6.89 |
| CHEMBL91 | MICONAZOLE | 4.0 | 1 | 6.75 |
| CHEMBL17157 | TERFENADINE | 4.0 | 1 | 6.50 |
| CHEMBL1484 | NICARDIPINE | 4.0 | 1 | 6.38 |
| CHEMBL584 | NELFINAVIR | 4.0 | 1 | 6.26 |
| CHEMBL64391 | ITRACONAZOLE | 4.0 | 1 | 6.16 |
| CHEMBL114 | SAQUINAVIR | 4.0 | 1 | 5.82 |
| CHEMBL296419 | ASTEMIZOLE | 4.0 | 1 | 5.48 |
| CHEMBL6966 | VERAPAMIL | 4.0 | 1 | 5.33 |
| CHEMBL160 | CYCLOSPORINE | 4.0 | 1 | 5.19 |
| CHEMBL655 | MIDAZOLAM | 4.0 | 1 | 5.09 |
| CHEMBL1423 | PIMOZIDE | 4.0 | 1 | 5.01 |
| CHEMBL30 | CIMETIDINE | 4.0 | 1 | 4.82 |
| CHEMBL159 | VINBLASTINE | 4.0 | 1 | 4.58 |
| CHEMBL532 | ERYTHROMYCIN | 4.0 | 1 | 4.48 |
| CHEMBL1790041 | RANITIDINE | 4.0 | 1 | - |
| CHEMBL1294 | QUINIDINE | 4.0 | 1 | - |
| CHEMBL1751 | DIGOXIN | 4.0 | 1 | - |
| CHEMBL384467 | DEXAMETHASONE | 4.0 | 1 | - |
| CHEMBL6067487 | IVERMECTIN | 4.0 | 1 | - |
| CHEMBL70 | MORPHINE | 4.0 | 1 | - |
| CHEMBL389621 | HYDROCORTISONE | 4.0 | 1 | - |
| CHEMBL31421 | — | — | 1 | - |
| CHEMBL44657 | ETOPOSIDE | 4.0 | 1 | - |
| CHEMBL107 | COLCHICINE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL104 | CLOTRIMAZOLE | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL163 | RITONAVIR | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL45816 | MIBEFRADIL | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL91 | MICONAZOLE | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL17157 | TERFENADINE | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL1484 | NICARDIPINE | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL584 | NELFINAVIR | IC50 | = | 550.0 | nM | 6.26 |
| CHEMBL64391 | ITRACONAZOLE | IC50 | = | 700.0 | nM | 6.16 |
| CHEMBL114 | SAQUINAVIR | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL296419 | ASTEMIZOLE | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL6966 | VERAPAMIL | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL160 | CYCLOSPORINE | IC50 | = | 6500.0 | nM | 5.19 |
| CHEMBL655 | MIDAZOLAM | IC50 | = | 8100.0 | nM | 5.09 |
| CHEMBL1423 | PIMOZIDE | IC50 | = | 9700.0 | nM | 5.01 |
| CHEMBL30 | CIMETIDINE | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL159 | VINBLASTINE | IC50 | = | 26000.0 | nM | 4.58 |
| CHEMBL532 | ERYTHROMYCIN | IC50 | = | 33000.0 | nM | 4.48 |
| CHEMBL1790041 | RANITIDINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL1294 | QUINIDINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL1751 | DIGOXIN | IC50 | > | 50000.0 | nM | - |
| CHEMBL384467 | DEXAMETHASONE | IC50 | > | 50000.0 | nM | - |
| CHEMBL6067487 | IVERMECTIN | IC50 | > | 50000.0 | nM | - |
| CHEMBL70 | MORPHINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL389621 | HYDROCORTISONE | IC50 | > | 50000.0 | nM | - |
| CHEMBL31421 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL44657 | ETOPOSIDE | IC50 | > | 50000.0 | nM | - |
| CHEMBL107 | COLCHICINE | IC50 | > | 50000.0 | nM | - |