Assay Detail
ADMET
CHEMBL5366037
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Inhibition of CYP3A4 in human liver microsomes
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsome |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Design, synthesis and biological evaluation of chalcone derivatives as potent and orally active hCYP3A4 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 36 | 6.62 | 7.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 7.75 |
| CHEMBL5428544 | — | — | 1 | 7.36 |
| CHEMBL5422931 | — | — | 1 | 7.36 |
| CHEMBL5440261 | — | — | 1 | 7.29 |
| CHEMBL5411496 | — | — | 1 | 7.16 |
| CHEMBL5397192 | — | — | 1 | 7.12 |
| CHEMBL5396316 | — | — | 1 | 7.11 |
| CHEMBL5403485 | — | — | 1 | 7.08 |
| CHEMBL5425736 | — | — | 1 | 7.05 |
| CHEMBL5408831 | — | — | 1 | 7.03 |
| CHEMBL5407563 | — | — | 1 | 6.99 |
| CHEMBL5427758 | — | — | 1 | 6.99 |
| CHEMBL5427813 | — | — | 1 | 6.94 |
| CHEMBL5430409 | — | — | 1 | 6.92 |
| CHEMBL5400274 | — | — | 1 | 6.80 |
| CHEMBL5416061 | — | — | 1 | 6.73 |
| CHEMBL5402399 | — | — | 1 | 6.65 |
| CHEMBL5410914 | — | — | 1 | 6.59 |
| CHEMBL5404974 | — | — | 1 | 6.57 |
| CHEMBL5427889 | — | — | 1 | 6.16 |
| CHEMBL5403040 | — | — | 1 | 6.11 |
| CHEMBL375905 | — | — | 1 | 5.96 |
| CHEMBL1938880 | — | — | 1 | 5.92 |
| CHEMBL1830282 | — | — | 1 | 5.92 |
| CHEMBL5439866 | — | — | 1 | 5.60 |
| CHEMBL105496 | 4-METHOXY CHALCONE | — | 1 | 5.42 |
| CHEMBL1830281 | — | — | 1 | 5.41 |
| CHEMBL7747 | 4-HYDROXYCHALCONE | — | 1 | 5.29 |
| CHEMBL220983 | — | — | 1 | - |
| CHEMBL1938883 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL5428544 | — | IC50 | = | 43.51 | nM | 7.36 |
| CHEMBL5422931 | — | IC50 | = | 43.93 | nM | 7.36 |
| CHEMBL5440261 | — | IC50 | = | 51.57 | nM | 7.29 |
| CHEMBL5411496 | — | IC50 | = | 70.03 | nM | 7.16 |
| CHEMBL5397192 | — | IC50 | = | 75.87 | nM | 7.12 |
| CHEMBL5396316 | — | IC50 | = | 77.59 | nM | 7.11 |
| CHEMBL5403485 | — | IC50 | = | 83.56 | nM | 7.08 |
| CHEMBL5425736 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL5408831 | — | IC50 | = | 94.11 | nM | 7.03 |
| CHEMBL5407563 | — | IC50 | = | 102.1 | nM | 6.99 |
| CHEMBL5427758 | — | IC50 | = | 102.1 | nM | 6.99 |
| CHEMBL5427813 | — | IC50 | = | 115.7 | nM | 6.94 |
| CHEMBL5430409 | — | IC50 | = | 119.5 | nM | 6.92 |
| CHEMBL5400274 | — | IC50 | = | 159.4 | nM | 6.80 |
| CHEMBL5416061 | — | IC50 | = | 187.2 | nM | 6.73 |
| CHEMBL5402399 | — | IC50 | = | 225.9 | nM | 6.65 |
| CHEMBL5410914 | — | IC50 | = | 254.1 | nM | 6.59 |
| CHEMBL5404974 | — | IC50 | = | 266.6 | nM | 6.57 |
| CHEMBL5427889 | — | IC50 | = | 690.0 | nM | 6.16 |
| CHEMBL5403040 | — | IC50 | = | 784.7 | nM | 6.11 |
| CHEMBL375905 | — | IC50 | = | 1094.0 | nM | 5.96 |
| CHEMBL1938880 | — | IC50 | = | 1213.0 | nM | 5.92 |
| CHEMBL1830282 | — | IC50 | = | 1204.0 | nM | 5.92 |
| CHEMBL5439866 | — | IC50 | = | 2520.0 | nM | 5.60 |
| CHEMBL105496 | 4-METHOXY CHALCONE | IC50 | = | 3780.0 | nM | 5.42 |
| CHEMBL1830281 | — | IC50 | = | 3887.0 | nM | 5.41 |
| CHEMBL7747 | 4-HYDROXYCHALCONE | IC50 | = | 5095.0 | nM | 5.29 |
| CHEMBL220983 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1938883 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL227560 | 4-CHLORO CHALCONE | IC50 | > | 10000.0 | nM | - |
| CHEMBL243164 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1098239 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5406227 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL2234233 | 4-FLUORO CHALCONE | IC50 | > | 10000.0 | nM | - |
| CHEMBL7976 | CHALCONE | IC50 | > | 10000.0 | nM | - |