Assay Detail
ADMET
CHEMBL4380058
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry
42
Total Activities
42
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
Synthesis and structure-activity relationship studies of α-naphthoflavone derivatives as CYP1B1 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 42 | 7.55 | 8.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4457289 | — | — | 1 | 8.52 |
| CHEMBL425868 | — | — | 1 | 8.37 |
| CHEMBL368236 | — | — | 1 | 8.28 |
| CHEMBL359819 | — | — | 1 | 8.17 |
| CHEMBL4471231 | — | — | 1 | 8.05 |
| CHEMBL4558857 | — | — | 1 | 8.02 |
| CHEMBL4474545 | — | — | 1 | 8.02 |
| CHEMBL4062213 | — | — | 1 | 7.93 |
| CHEMBL361608 | — | — | 1 | 7.91 |
| CHEMBL4465703 | — | — | 1 | 7.91 |
| CHEMBL4438763 | — | — | 1 | 7.87 |
| CHEMBL4064195 | — | — | 1 | 7.78 |
| CHEMBL436080 | — | — | 1 | 7.78 |
| CHEMBL177991 | — | — | 1 | 7.73 |
| CHEMBL4556419 | — | — | 1 | 7.60 |
| CHEMBL177938 | — | — | 1 | 7.60 |
| CHEMBL4545007 | — | — | 1 | 7.59 |
| CHEMBL4483482 | — | — | 1 | 7.55 |
| CHEMBL4532886 | — | — | 1 | 7.51 |
| CHEMBL2420082 | — | — | 1 | 7.51 |
| CHEMBL4553927 | — | — | 1 | 7.50 |
| CHEMBL4562047 | — | — | 1 | 7.50 |
| CHEMBL4568026 | — | — | 1 | 7.49 |
| CHEMBL4434863 | — | — | 1 | 7.49 |
| CHEMBL4585810 | — | — | 1 | 7.46 |
| CHEMBL3230194 | — | — | 1 | 7.45 |
| CHEMBL4466261 | — | — | 1 | 7.42 |
| CHEMBL4518052 | — | — | 1 | 7.42 |
| CHEMBL4466582 | — | — | 1 | 7.35 |
| CHEMBL4446470 | — | — | 1 | 7.34 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4457289 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL425868 | — | IC50 | = | 4.3 | nM | 8.37 |
| CHEMBL368236 | — | IC50 | = | 5.2 | nM | 8.28 |
| CHEMBL359819 | — | IC50 | = | 6.7 | nM | 8.17 |
| CHEMBL4471231 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL4558857 | — | IC50 | = | 9.6 | nM | 8.02 |
| CHEMBL4474545 | — | IC50 | = | 9.6 | nM | 8.02 |
| CHEMBL4062213 | — | IC50 | = | 11.8 | nM | 7.93 |
| CHEMBL361608 | — | IC50 | = | 12.2 | nM | 7.91 |
| CHEMBL4465703 | — | IC50 | = | 12.3 | nM | 7.91 |
| CHEMBL4438763 | — | IC50 | = | 13.6 | nM | 7.87 |
| CHEMBL4064195 | — | IC50 | = | 16.7 | nM | 7.78 |
| CHEMBL436080 | — | IC50 | = | 16.7 | nM | 7.78 |
| CHEMBL177991 | — | IC50 | = | 18.7 | nM | 7.73 |
| CHEMBL177938 | — | IC50 | = | 25.3 | nM | 7.60 |
| CHEMBL4556419 | — | IC50 | = | 25.1 | nM | 7.60 |
| CHEMBL4545007 | — | IC50 | = | 25.5 | nM | 7.59 |
| CHEMBL4483482 | — | IC50 | = | 28.2 | nM | 7.55 |
| CHEMBL4532886 | — | IC50 | = | 30.9 | nM | 7.51 |
| CHEMBL2420082 | — | IC50 | = | 30.9 | nM | 7.51 |
| CHEMBL4562047 | — | IC50 | = | 31.9 | nM | 7.50 |
| CHEMBL4553927 | — | IC50 | = | 31.7 | nM | 7.50 |
| CHEMBL4568026 | — | IC50 | = | 32.6 | nM | 7.49 |
| CHEMBL4434863 | — | IC50 | = | 32.1 | nM | 7.49 |
| CHEMBL4585810 | — | IC50 | = | 34.6 | nM | 7.46 |
| CHEMBL3230194 | — | IC50 | = | 35.8 | nM | 7.45 |
| CHEMBL4466261 | — | IC50 | = | 37.9 | nM | 7.42 |
| CHEMBL4518052 | — | IC50 | = | 37.9 | nM | 7.42 |
| CHEMBL4466582 | — | IC50 | = | 44.4 | nM | 7.35 |
| CHEMBL4446470 | — | IC50 | = | 45.8 | nM | 7.34 |
| CHEMBL3230195 | — | IC50 | = | 46.4 | nM | 7.33 |
| CHEMBL1801014 | — | IC50 | = | 53.1 | nM | 7.28 |
| CHEMBL4461997 | — | IC50 | = | 65.4 | nM | 7.18 |
| CHEMBL4551672 | — | IC50 | = | 72.8 | nM | 7.14 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 80.3 | nM | 7.09 |
| CHEMBL4546511 | — | IC50 | = | 84.6 | nM | 7.07 |
| CHEMBL4458757 | — | IC50 | = | 94.9 | nM | 7.02 |
| CHEMBL4462604 | — | IC50 | = | 129.2 | nM | 6.89 |
| CHEMBL4470790 | — | IC50 | = | 153.4 | nM | 6.81 |
| CHEMBL4541619 | — | IC50 | = | 163.9 | nM | 6.79 |
| CHEMBL175450 | — | IC50 | = | 227.9 | nM | 6.64 |
| CHEMBL4471332 | — | IC50 | > | 1000.0 | nM | - |