Assay Detail
ADMET
CHEMBL3423817
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Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay
29
Total Activities
29
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
Design and Synthesis of New α-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 29 | 7.41 | 8.42 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 8.42 |
| CHEMBL3422339 | — | — | 1 | 7.87 |
| CHEMBL3422335 | — | — | 1 | 7.81 |
| CHEMBL3422257 | — | — | 1 | 7.79 |
| CHEMBL3422340 | — | — | 1 | 7.79 |
| CHEMBL3422341 | — | — | 1 | 7.71 |
| CHEMBL3422258 | — | — | 1 | 7.66 |
| CHEMBL3422342 | — | — | 1 | 7.63 |
| CHEMBL3422349 | — | — | 1 | 7.58 |
| CHEMBL3422338 | — | — | 1 | 7.56 |
| CHEMBL3422348 | — | — | 1 | 7.53 |
| CHEMBL3422347 | — | — | 1 | 7.46 |
| CHEMBL3421639 | — | — | 1 | 7.43 |
| CHEMBL3422343 | — | — | 1 | 7.37 |
| CHEMBL3422352 | — | — | 1 | 7.37 |
| CHEMBL3422351 | — | — | 1 | 7.30 |
| CHEMBL3422346 | — | — | 1 | 7.30 |
| CHEMBL3422354 | — | — | 1 | 7.25 |
| CHEMBL3422350 | — | — | 1 | 7.24 |
| CHEMBL3422336 | — | — | 1 | 7.24 |
| CHEMBL3422345 | — | — | 1 | 7.23 |
| CHEMBL3422337 | — | — | 1 | 7.21 |
| CHEMBL3422356 | — | — | 1 | 7.17 |
| CHEMBL3422353 | — | — | 1 | 7.08 |
| CHEMBL3422355 | — | — | 1 | 7.07 |
| CHEMBL3422344 | — | — | 1 | 7.01 |
| CHEMBL3422357 | — | — | 1 | 6.92 |
| CHEMBL3421640 | — | — | 1 | 6.92 |
| CHEMBL3422358 | — | — | 1 | 6.89 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 3.8 | nM | 8.42 |
| CHEMBL3422339 | — | IC50 | = | 13.5 | nM | 7.87 |
| CHEMBL3422335 | — | IC50 | = | 15.4 | nM | 7.81 |
| CHEMBL3422257 | — | IC50 | = | 16.1 | nM | 7.79 |
| CHEMBL3422340 | — | IC50 | = | 16.4 | nM | 7.79 |
| CHEMBL3422341 | — | IC50 | = | 19.3 | nM | 7.71 |
| CHEMBL3422258 | — | IC50 | = | 22.1 | nM | 7.66 |
| CHEMBL3422342 | — | IC50 | = | 23.5 | nM | 7.63 |
| CHEMBL3422349 | — | IC50 | = | 26.5 | nM | 7.58 |
| CHEMBL3422338 | — | IC50 | = | 27.7 | nM | 7.56 |
| CHEMBL3422348 | — | IC50 | = | 29.4 | nM | 7.53 |
| CHEMBL3422347 | — | IC50 | = | 34.4 | nM | 7.46 |
| CHEMBL3421639 | — | IC50 | = | 36.7 | nM | 7.43 |
| CHEMBL3422343 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL3422352 | — | IC50 | = | 42.5 | nM | 7.37 |
| CHEMBL3422351 | — | IC50 | = | 49.6 | nM | 7.30 |
| CHEMBL3422346 | — | IC50 | = | 50.6 | nM | 7.30 |
| CHEMBL3422354 | — | IC50 | = | 56.2 | nM | 7.25 |
| CHEMBL3422350 | — | IC50 | = | 57.6 | nM | 7.24 |
| CHEMBL3422336 | — | IC50 | = | 58.0 | nM | 7.24 |
| CHEMBL3422345 | — | IC50 | = | 58.4 | nM | 7.23 |
| CHEMBL3422337 | — | IC50 | = | 61.1 | nM | 7.21 |
| CHEMBL3422356 | — | IC50 | = | 68.3 | nM | 7.17 |
| CHEMBL3422353 | — | IC50 | = | 83.3 | nM | 7.08 |
| CHEMBL3422355 | — | IC50 | = | 85.9 | nM | 7.07 |
| CHEMBL3422344 | — | IC50 | = | 96.9 | nM | 7.01 |
| CHEMBL3422357 | — | IC50 | = | 121.6 | nM | 6.92 |
| CHEMBL3421640 | — | IC50 | = | 119.7 | nM | 6.92 |
| CHEMBL3422358 | — | IC50 | = | 129.0 | nM | 6.89 |