Assay Detail
ADMET
CHEMBL3530852
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Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysis
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsomes |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Identifying a selective substrate and inhibitor pair for the evaluation of CYP2J2 activity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 20 | 5.22 | 5.90 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL104 | CLOTRIMAZOLE | 4.0 | 1 | 5.90 |
| CHEMBL50 | QUERCETIN | 3.0 | 1 | 5.81 |
| CHEMBL6067650 | PAROXETINE HYDROCHLORIDE | 4.0 | 1 | 5.27 |
| CHEMBL480 | LANSOPRAZOLE | 4.0 | 1 | 5.19 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 4.58 |
| CHEMBL1648 | ISRADIPINE | 4.0 | 1 | 4.55 |
| CHEMBL83 | TAMOXIFEN | 4.0 | 1 | - |
| CHEMBL1064 | SIMVASTATIN | 4.0 | 1 | - |
| CHEMBL1423 | PIMOZIDE | 4.0 | 1 | - |
| CHEMBL900 | ORPHENADRINE | 4.0 | 1 | - |
| CHEMBL1484 | NICARDIPINE | 4.0 | 1 | - |
| CHEMBL172 | (S,R)-MEFLOQUINE | — | 1 | - |
| CHEMBL998 | LORATADINE | 4.0 | 1 | - |
| CHEMBL6067487 | IVERMECTIN | 4.0 | 1 | - |
| CHEMBL54 | HALOPERIDOL | 4.0 | 1 | - |
| CHEMBL6966 | VERAPAMIL | 4.0 | 1 | - |
| CHEMBL1008 | BEPRIDIL | 4.0 | 1 | - |
| CHEMBL296419 | ASTEMIZOLE | 4.0 | 1 | - |
| CHEMBL1483 | ALBENDAZOLE | 4.0 | 1 | - |
| CHEMBL1479 | DANAZOL | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL104 | CLOTRIMAZOLE | IC50 | = | 1250.0 | nM | 5.90 |
| CHEMBL50 | QUERCETIN | IC50 | = | 1550.0 | nM | 5.81 |
| CHEMBL6067650 | PAROXETINE HYDROCHLORIDE | IC50 | = | 5330.0 | nM | 5.27 |
| CHEMBL480 | LANSOPRAZOLE | IC50 | = | 6460.0 | nM | 5.19 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 26000.0 | nM | 4.58 |
| CHEMBL1648 | ISRADIPINE | IC50 | = | 28300.0 | nM | 4.55 |
| CHEMBL83 | TAMOXIFEN | IC50 | > | 30000.0 | nM | - |
| CHEMBL1064 | SIMVASTATIN | IC50 | > | 30000.0 | nM | - |
| CHEMBL1423 | PIMOZIDE | IC50 | > | 30000.0 | nM | - |
| CHEMBL900 | ORPHENADRINE | IC50 | > | 30000.0 | nM | - |
| CHEMBL1484 | NICARDIPINE | IC50 | > | 30000.0 | nM | - |
| CHEMBL172 | (S,R)-MEFLOQUINE | IC50 | > | 30000.0 | nM | - |
| CHEMBL998 | LORATADINE | IC50 | > | 30000.0 | nM | - |
| CHEMBL6067487 | IVERMECTIN | IC50 | > | 30000.0 | nM | - |
| CHEMBL54 | HALOPERIDOL | IC50 | > | 30000.0 | nM | - |
| CHEMBL6966 | VERAPAMIL | IC50 | > | 30000.0 | nM | - |
| CHEMBL1008 | BEPRIDIL | IC50 | > | 30000.0 | nM | - |
| CHEMBL296419 | ASTEMIZOLE | IC50 | > | 30000.0 | nM | - |
| CHEMBL1483 | ALBENDAZOLE | IC50 | > | 30000.0 | nM | - |
| CHEMBL1479 | DANAZOL | IC50 | > | 30000.0 | nM | - |