Assay Detail
ADMET
CHEMBL4733549
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Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 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 | 7.59 | 8.80 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4759437 | — | — | 1 | 8.80 |
| CHEMBL4798651 | — | — | 1 | 8.80 |
| CHEMBL4799247 | — | — | 1 | 8.64 |
| CHEMBL4781932 | — | — | 1 | 8.51 |
| CHEMBL4746097 | — | — | 1 | 8.36 |
| CHEMBL4755282 | — | — | 1 | 8.27 |
| CHEMBL4759410 | — | — | 1 | 8.24 |
| CHEMBL4791264 | — | — | 1 | 8.16 |
| CHEMBL4781895 | — | — | 1 | 8.12 |
| CHEMBL4750829 | — | — | 1 | 8.10 |
| CHEMBL4798694 | — | — | 1 | 8.00 |
| CHEMBL4747913 | — | — | 1 | 8.00 |
| CHEMBL4744690 | — | — | 1 | 7.86 |
| CHEMBL4740802 | — | — | 1 | 7.82 |
| CHEMBL4749123 | — | — | 1 | 7.78 |
| CHEMBL4753083 | — | — | 1 | 7.78 |
| CHEMBL4759778 | — | — | 1 | 7.75 |
| CHEMBL4741985 | — | — | 1 | 7.73 |
| CHEMBL4750507 | — | — | 1 | 7.70 |
| CHEMBL4753629 | — | — | 1 | 7.68 |
| CHEMBL4795310 | — | — | 1 | 7.62 |
| CHEMBL4782753 | — | — | 1 | 7.57 |
| CHEMBL4745341 | — | — | 1 | 7.51 |
| CHEMBL4746873 | — | — | 1 | 7.50 |
| CHEMBL4799346 | — | — | 1 | 7.41 |
| CHEMBL4753119 | — | — | 1 | 7.41 |
| CHEMBL4744264 | — | — | 1 | 7.39 |
| CHEMBL4745122 | — | — | 1 | 7.37 |
| CHEMBL4761904 | — | — | 1 | 7.25 |
| CHEMBL4754216 | — | — | 1 | 7.22 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4759437 | — | IC50 | = | 1.6 | nM | 8.80 |
| CHEMBL4798651 | — | IC50 | = | 1.6 | nM | 8.80 |
| CHEMBL4799247 | — | IC50 | = | 2.3 | nM | 8.64 |
| CHEMBL4781932 | — | IC50 | = | 3.1 | nM | 8.51 |
| CHEMBL4746097 | — | IC50 | = | 4.4 | nM | 8.36 |
| CHEMBL4755282 | — | IC50 | = | 5.4 | nM | 8.27 |
| CHEMBL4759410 | — | IC50 | = | 5.7 | nM | 8.24 |
| CHEMBL4791264 | — | IC50 | = | 6.9 | nM | 8.16 |
| CHEMBL4781895 | — | IC50 | = | 7.6 | nM | 8.12 |
| CHEMBL4750829 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL4798694 | — | IC50 | = | 9.9 | nM | 8.00 |
| CHEMBL4747913 | — | IC50 | = | 10.1 | nM | 8.00 |
| CHEMBL4744690 | — | IC50 | = | 13.8 | nM | 7.86 |
| CHEMBL4740802 | — | IC50 | = | 15.3 | nM | 7.82 |
| CHEMBL4753083 | — | IC50 | = | 16.5 | nM | 7.78 |
| CHEMBL4749123 | — | IC50 | = | 16.8 | nM | 7.78 |
| CHEMBL4759778 | — | IC50 | = | 17.7 | nM | 7.75 |
| CHEMBL4741985 | — | IC50 | = | 18.8 | nM | 7.73 |
| CHEMBL4750507 | — | IC50 | = | 19.9 | nM | 7.70 |
| CHEMBL4753629 | — | IC50 | = | 20.9 | nM | 7.68 |
| CHEMBL4795310 | — | IC50 | = | 23.8 | nM | 7.62 |
| CHEMBL4782753 | — | IC50 | = | 26.9 | nM | 7.57 |
| CHEMBL4745341 | — | IC50 | = | 30.8 | nM | 7.51 |
| CHEMBL4746873 | — | IC50 | = | 31.6 | nM | 7.50 |
| CHEMBL4753119 | — | IC50 | = | 38.9 | nM | 7.41 |
| CHEMBL4799346 | — | IC50 | = | 38.9 | nM | 7.41 |
| CHEMBL4744264 | — | IC50 | = | 40.4 | nM | 7.39 |
| CHEMBL4745122 | — | IC50 | = | 42.4 | nM | 7.37 |
| CHEMBL4761904 | — | IC50 | = | 56.8 | nM | 7.25 |
| CHEMBL4754216 | — | IC50 | = | 60.7 | nM | 7.22 |
| CHEMBL4792471 | — | IC50 | = | 66.6 | nM | 7.18 |
| CHEMBL4781446 | — | IC50 | = | 80.9 | nM | 7.09 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 80.3 | nM | 7.09 |
| CHEMBL4763388 | — | IC50 | = | 85.8 | nM | 7.07 |
| CHEMBL4799305 | — | IC50 | = | 91.6 | nM | 7.04 |
| CHEMBL4742050 | — | IC50 | = | 117.6 | nM | 6.93 |
| CHEMBL4749988 | — | IC50 | = | 125.7 | nM | 6.90 |
| CHEMBL4740535 | — | IC50 | = | 132.5 | nM | 6.88 |
| CHEMBL4746672 | — | IC50 | = | 137.1 | nM | 6.86 |
| CHEMBL4746733 | — | IC50 | = | 141.9 | nM | 6.85 |
| CHEMBL4740715 | — | IC50 | = | 151.9 | nM | 6.82 |
| CHEMBL4740805 | — | IC50 | = | 232.0 | nM | 6.63 |
| CHEMBL4745897 | — | IC50 | = | 322.6 | nM | 6.49 |
| CHEMBL4758643 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4760296 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4778382 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4798948 | — | IC50 | > | 1000.0 | nM | - |