Assay Detail
ADMET
CHEMBL3541093
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method
69
Total Activities
69
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
Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 69 | 5.27 | 6.38 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1017 | TELMISARTAN | 4.0 | 1 | 6.38 |
| CHEMBL30008 | FLUNARIZINE | 2.0 | 1 | 6.03 |
| CHEMBL682 | AMODIAQUINE | 4.0 | 1 | 6.00 |
| CHEMBL1484 | NICARDIPINE | 4.0 | 1 | 5.77 |
| CHEMBL45816 | MIBEFRADIL | 4.0 | 1 | 5.67 |
| CHEMBL9 | NORFLOXACIN | 4.0 | 1 | 5.59 |
| CHEMBL193 | NIFEDIPINE | 4.0 | 1 | 5.51 |
| CHEMBL1428 | NIMODIPINE | 4.0 | 1 | 5.47 |
| CHEMBL388590 | BENZBROMARONE | 4.0 | 1 | 5.37 |
| CHEMBL54 | HALOPERIDOL | 4.0 | 1 | 5.33 |
| CHEMBL13 | METOPROLOL | 4.0 | 1 | 5.31 |
| CHEMBL1451 | TRIAMCINOLONE | 4.0 | 1 | 5.02 |
| CHEMBL567 | PERPHENAZINE | 4.0 | 1 | 4.97 |
| CHEMBL1008 | BEPRIDIL | 4.0 | 1 | 4.94 |
| CHEMBL42 | CLOZAPINE | 4.0 | 1 | 4.85 |
| CHEMBL809 | SERTRALINE | 4.0 | 1 | 4.73 |
| CHEMBL833 | TICLOPIDINE | 4.0 | 1 | 4.66 |
| CHEMBL6966 | VERAPAMIL | 4.0 | 1 | 4.66 |
| CHEMBL71 | CHLORPROMAZINE | 4.0 | 1 | 4.61 |
| CHEMBL161 | CEFTRIAXONE | 4.0 | 1 | 4.56 |
| CHEMBL139 | DICLOFENAC | 4.0 | 1 | - |
| CHEMBL23 | DILTIAZEM | 4.0 | 1 | - |
| CHEMBL52440 | DEXTROMETHORPHAN | 4.0 | 1 | - |
| CHEMBL384467 | DEXAMETHASONE | 4.0 | 1 | - |
| CHEMBL72 | DESIPRAMINE | 4.0 | 1 | - |
| CHEMBL30 | CIMETIDINE | 4.0 | 1 | - |
| CHEMBL1371 | CHLORZOXAZONE | 4.0 | 1 | - |
| CHEMBL108 | CARBAMAZEPINE | 4.0 | 1 | - |
| CHEMBL296035 | BUFURALOL | 2.0 | 1 | - |
| CHEMBL12610 | BENZYDAMINE | 3.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1017 | TELMISARTAN | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL30008 | FLUNARIZINE | IC50 | = | 940.0 | nM | 6.03 |
| CHEMBL682 | AMODIAQUINE | IC50 | = | 990.0 | nM | 6.00 |
| CHEMBL1484 | NICARDIPINE | IC50 | = | 1690.0 | nM | 5.77 |
| CHEMBL45816 | MIBEFRADIL | IC50 | = | 2140.0 | nM | 5.67 |
| CHEMBL9 | NORFLOXACIN | IC50 | = | 2560.0 | nM | 5.59 |
| CHEMBL193 | NIFEDIPINE | IC50 | = | 3060.0 | nM | 5.51 |
| CHEMBL1428 | NIMODIPINE | IC50 | = | 3380.0 | nM | 5.47 |
| CHEMBL388590 | BENZBROMARONE | IC50 | = | 4260.0 | nM | 5.37 |
| CHEMBL54 | HALOPERIDOL | IC50 | = | 4690.0 | nM | 5.33 |
| CHEMBL13 | METOPROLOL | IC50 | = | 4870.0 | nM | 5.31 |
| CHEMBL1451 | TRIAMCINOLONE | IC50 | = | 9470.0 | nM | 5.02 |
| CHEMBL567 | PERPHENAZINE | IC50 | = | 10600.0 | nM | 4.97 |
| CHEMBL1008 | BEPRIDIL | IC50 | = | 11500.0 | nM | 4.94 |
| CHEMBL42 | CLOZAPINE | IC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL809 | SERTRALINE | IC50 | = | 18500.0 | nM | 4.73 |
| CHEMBL6966 | VERAPAMIL | IC50 | = | 22000.0 | nM | 4.66 |
| CHEMBL833 | TICLOPIDINE | IC50 | = | 21800.0 | nM | 4.66 |
| CHEMBL71 | CHLORPROMAZINE | IC50 | = | 24400.0 | nM | 4.61 |
| CHEMBL161 | CEFTRIAXONE | IC50 | = | 27400.0 | nM | 4.56 |
| CHEMBL631 | PROPAFENONE | IC50 | > | 50000.0 | nM | - |
| CHEMBL26 | SULPIRIDE | IC50 | > | 50000.0 | nM | - |
| CHEMBL80 | NALOXONE | IC50 | > | 50000.0 | nM | - |
| CHEMBL154 | NAPROXEN | IC50 | > | 50000.0 | nM | - |
| CHEMBL1516 | OLMESARTAN | IC50 | > | 50000.0 | nM | - |
| CHEMBL1503 | OMEPRAZOLE | IC50 | > | 50000.0 | nM | - |
| CHEMBL16073 | PHENACETIN | IC50 | > | 50000.0 | nM | - |
| CHEMBL527 | PIROXICAM | IC50 | > | 50000.0 | nM | - |
| CHEMBL131 | PREDNISOLONE | IC50 | > | 50000.0 | nM | - |
| CHEMBL608 | PROBUCOL | IC50 | > | 50000.0 | nM | - |
| CHEMBL1434 | MINOCYCLINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL27 | PROPRANOLOL | IC50 | > | 50000.0 | nM | - |
| CHEMBL1790041 | RANITIDINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL1109 | SULFAPHENAZOLE | IC50 | > | 50000.0 | nM | - |
| CHEMBL421 | SULFASALAZINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL112 | ACETAMINOPHEN | IC50 | > | 50000.0 | nM | - |
| CHEMBL184 | ACYCLOVIR | IC50 | > | 50000.0 | nM | - |
| CHEMBL266195 | ALPRENOLOL | IC50 | > | 50000.0 | nM | - |
| CHEMBL1082 | AMOXICILLIN | IC50 | > | 50000.0 | nM | - |
| CHEMBL277474 | ANTIPYRINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL12610 | BENZYDAMINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL296035 | BUFURALOL | IC50 | > | 50000.0 | nM | - |
| CHEMBL108 | CARBAMAZEPINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL1371 | CHLORZOXAZONE | IC50 | > | 50000.0 | nM | - |
| CHEMBL30 | CIMETIDINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL72 | DESIPRAMINE | IC50 | > | 50000.0 | nM | - |
| CHEMBL384467 | DEXAMETHASONE | IC50 | > | 50000.0 | nM | - |
| CHEMBL52440 | DEXTROMETHORPHAN | IC50 | > | 50000.0 | nM | - |
| CHEMBL23 | DILTIAZEM | IC50 | > | 50000.0 | nM | - |
| CHEMBL139 | DICLOFENAC | IC50 | > | 50000.0 | nM | - |