Assay Detail
ADMET
CHEMBL4380059
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Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 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 | 6.98 | 7.97 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL425868 | — | — | 1 | 7.97 |
| CHEMBL359819 | — | — | 1 | 7.92 |
| CHEMBL361608 | — | — | 1 | 7.75 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 7.75 |
| CHEMBL177938 | — | — | 1 | 7.63 |
| CHEMBL4466261 | — | — | 1 | 7.60 |
| CHEMBL4062213 | — | — | 1 | 7.54 |
| CHEMBL177991 | — | — | 1 | 7.44 |
| CHEMBL4465703 | — | — | 1 | 7.37 |
| CHEMBL4562047 | — | — | 1 | 7.29 |
| CHEMBL4474545 | — | — | 1 | 7.27 |
| CHEMBL436080 | — | — | 1 | 7.21 |
| CHEMBL4434863 | — | — | 1 | 7.13 |
| CHEMBL368236 | — | — | 1 | 7.13 |
| CHEMBL4466582 | — | — | 1 | 7.12 |
| CHEMBL1801014 | — | — | 1 | 7.04 |
| CHEMBL4064195 | — | — | 1 | 7.03 |
| CHEMBL2420082 | — | — | 1 | 7.01 |
| CHEMBL175450 | — | — | 1 | 6.95 |
| CHEMBL4556419 | — | — | 1 | 6.87 |
| CHEMBL4545007 | — | — | 1 | 6.80 |
| CHEMBL4462604 | — | — | 1 | 6.77 |
| CHEMBL3230194 | — | — | 1 | 6.75 |
| CHEMBL4461997 | — | — | 1 | 6.75 |
| CHEMBL4558857 | — | — | 1 | 6.74 |
| CHEMBL4471231 | — | — | 1 | 6.67 |
| CHEMBL4438763 | — | — | 1 | 6.53 |
| CHEMBL4551672 | — | — | 1 | 6.52 |
| CHEMBL4553927 | — | — | 1 | 6.52 |
| CHEMBL4532886 | — | — | 1 | 6.50 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL425868 | — | IC50 | = | 10.6 | nM | 7.97 |
| CHEMBL359819 | — | IC50 | = | 12.1 | nM | 7.92 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL361608 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL177938 | — | IC50 | = | 23.2 | nM | 7.63 |
| CHEMBL4466261 | — | IC50 | = | 25.1 | nM | 7.60 |
| CHEMBL4062213 | — | IC50 | = | 28.6 | nM | 7.54 |
| CHEMBL177991 | — | IC50 | = | 36.4 | nM | 7.44 |
| CHEMBL4465703 | — | IC50 | = | 42.8 | nM | 7.37 |
| CHEMBL4562047 | — | IC50 | = | 51.8 | nM | 7.29 |
| CHEMBL4474545 | — | IC50 | = | 53.2 | nM | 7.27 |
| CHEMBL436080 | — | IC50 | = | 62.2 | nM | 7.21 |
| CHEMBL4434863 | — | IC50 | = | 74.6 | nM | 7.13 |
| CHEMBL368236 | — | IC50 | = | 73.6 | nM | 7.13 |
| CHEMBL4466582 | — | IC50 | = | 75.2 | nM | 7.12 |
| CHEMBL1801014 | — | IC50 | = | 91.5 | nM | 7.04 |
| CHEMBL4064195 | — | IC50 | = | 94.2 | nM | 7.03 |
| CHEMBL2420082 | — | IC50 | = | 98.2 | nM | 7.01 |
| CHEMBL175450 | — | IC50 | = | 113.2 | nM | 6.95 |
| CHEMBL4556419 | — | IC50 | = | 134.1 | nM | 6.87 |
| CHEMBL4545007 | — | IC50 | = | 156.9 | nM | 6.80 |
| CHEMBL4462604 | — | IC50 | = | 169.6 | nM | 6.77 |
| CHEMBL4461997 | — | IC50 | = | 179.0 | nM | 6.75 |
| CHEMBL3230194 | — | IC50 | = | 177.8 | nM | 6.75 |
| CHEMBL4558857 | — | IC50 | = | 183.3 | nM | 6.74 |
| CHEMBL4471231 | — | IC50 | = | 211.9 | nM | 6.67 |
| CHEMBL4438763 | — | IC50 | = | 295.8 | nM | 6.53 |
| CHEMBL4551672 | — | IC50 | = | 304.7 | nM | 6.52 |
| CHEMBL4553927 | — | IC50 | = | 304.2 | nM | 6.52 |
| CHEMBL4532886 | — | IC50 | = | 318.5 | nM | 6.50 |
| CHEMBL4546511 | — | IC50 | = | 582.2 | nM | 6.24 |
| CHEMBL4471332 | — | IC50 | = | 698.7 | nM | 6.16 |
| CHEMBL4585810 | — | IC50 | = | 761.6 | nM | 6.12 |
| CHEMBL4458757 | — | IC50 | = | 803.6 | nM | 6.09 |
| CHEMBL4518052 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL4568026 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4446470 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4470790 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL3230195 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4541619 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4457289 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4483482 | — | IC50 | > | 1000.0 | nM | - |