Assay Detail
ADMET
CHEMBL4733550
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Inhibition of recombinant human CYP1A2 using 7-ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assay
47
Total Activities
47
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 of heterocycle-containing α-naphthoflavone derivatives as water-soluble, highly potent and selective CYP1B1 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 47 | 6.74 | 7.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 7.75 |
| CHEMBL4781932 | — | — | 1 | 7.54 |
| CHEMBL4746097 | — | — | 1 | 7.39 |
| CHEMBL4744690 | — | — | 1 | 7.17 |
| CHEMBL4755282 | — | — | 1 | 6.97 |
| CHEMBL4745341 | — | — | 1 | 6.97 |
| CHEMBL4781895 | — | — | 1 | 6.93 |
| CHEMBL4759778 | — | — | 1 | 6.85 |
| CHEMBL4750507 | — | — | 1 | 6.83 |
| CHEMBL4791264 | — | — | 1 | 6.79 |
| CHEMBL4744264 | — | — | 1 | 6.70 |
| CHEMBL4798651 | — | — | 1 | 6.68 |
| CHEMBL4759410 | — | — | 1 | 6.46 |
| CHEMBL4799346 | — | — | 1 | 6.29 |
| CHEMBL4753119 | — | — | 1 | 6.21 |
| CHEMBL4741985 | — | — | 1 | 6.20 |
| CHEMBL4799247 | — | — | 1 | 6.17 |
| CHEMBL4750829 | — | — | 1 | 6.13 |
| CHEMBL4754216 | — | — | 1 | 6.01 |
| CHEMBL4740802 | — | — | 1 | - |
| CHEMBL4746873 | — | — | 1 | - |
| CHEMBL4761904 | — | — | 1 | - |
| CHEMBL4745897 | — | — | 1 | - |
| CHEMBL4798694 | — | — | 1 | - |
| CHEMBL4740805 | — | — | 1 | - |
| CHEMBL4782753 | — | — | 1 | - |
| CHEMBL4749123 | — | — | 1 | - |
| CHEMBL4799305 | — | — | 1 | - |
| CHEMBL4798948 | — | — | 1 | - |
| CHEMBL4792471 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL4781932 | — | IC50 | = | 29.2 | nM | 7.54 |
| CHEMBL4746097 | — | IC50 | = | 40.4 | nM | 7.39 |
| CHEMBL4744690 | — | IC50 | = | 67.2 | nM | 7.17 |
| CHEMBL4755282 | — | IC50 | = | 107.6 | nM | 6.97 |
| CHEMBL4745341 | — | IC50 | = | 108.0 | nM | 6.97 |
| CHEMBL4781895 | — | IC50 | = | 117.3 | nM | 6.93 |
| CHEMBL4759778 | — | IC50 | = | 140.6 | nM | 6.85 |
| CHEMBL4750507 | — | IC50 | = | 148.2 | nM | 6.83 |
| CHEMBL4791264 | — | IC50 | = | 160.7 | nM | 6.79 |
| CHEMBL4744264 | — | IC50 | = | 199.8 | nM | 6.70 |
| CHEMBL4798651 | — | IC50 | = | 208.5 | nM | 6.68 |
| CHEMBL4759410 | — | IC50 | = | 348.6 | nM | 6.46 |
| CHEMBL4799346 | — | IC50 | = | 518.0 | nM | 6.29 |
| CHEMBL4753119 | — | IC50 | = | 622.8 | nM | 6.21 |
| CHEMBL4741985 | — | IC50 | = | 628.5 | nM | 6.20 |
| CHEMBL4799247 | — | IC50 | = | 668.4 | nM | 6.17 |
| CHEMBL4750829 | — | IC50 | = | 742.0 | nM | 6.13 |
| CHEMBL4754216 | — | IC50 | = | 965.5 | nM | 6.01 |
| CHEMBL4740715 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4758643 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4781446 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4763388 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4749988 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4747913 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4753083 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4746672 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4742050 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4753629 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4759437 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4745122 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4746733 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4760296 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4740535 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4778382 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4795310 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4792471 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4798948 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4799305 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4749123 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4782753 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4740805 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4798694 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4745897 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4761904 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4746873 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4740802 | — | IC50 | > | 1000.0 | nM | - |