Assay Detail
ADMET
CHEMBL3423816
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Inhibition of human CYP1A1 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 | 7.64 | 8.74 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3422338 | — | — | 1 | 8.74 |
| CHEMBL3422257 | — | — | 1 | 8.32 |
| CHEMBL3422258 | — | — | 1 | 8.23 |
| CHEMBL3422337 | — | — | 1 | 8.19 |
| CHEMBL3422335 | — | — | 1 | 8.01 |
| CHEMBL3422341 | — | — | 1 | 7.94 |
| CHEMBL3421639 | — | — | 1 | 7.94 |
| CHEMBL3422350 | — | — | 1 | 7.93 |
| CHEMBL3422346 | — | — | 1 | 7.92 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 7.92 |
| CHEMBL3422340 | — | — | 1 | 7.89 |
| CHEMBL3422354 | — | — | 1 | 7.87 |
| CHEMBL3422339 | — | — | 1 | 7.73 |
| CHEMBL3422336 | — | — | 1 | 7.72 |
| CHEMBL3422358 | — | — | 1 | 7.70 |
| CHEMBL3422342 | — | — | 1 | 7.65 |
| CHEMBL3422353 | — | — | 1 | 7.57 |
| CHEMBL3422348 | — | — | 1 | 7.56 |
| CHEMBL3422347 | — | — | 1 | 7.50 |
| CHEMBL3422351 | — | — | 1 | 7.48 |
| CHEMBL3421640 | — | — | 1 | 7.44 |
| CHEMBL3422355 | — | — | 1 | 7.41 |
| CHEMBL3422352 | — | — | 1 | 7.34 |
| CHEMBL3422349 | — | — | 1 | 7.17 |
| CHEMBL3422343 | — | — | 1 | 7.17 |
| CHEMBL3422357 | — | — | 1 | 7.15 |
| CHEMBL3422345 | — | — | 1 | 6.94 |
| CHEMBL3422356 | — | — | 1 | 6.72 |
| CHEMBL3422344 | — | — | 1 | 6.27 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3422338 | — | IC50 | = | 1.8 | nM | 8.74 |
| CHEMBL3422257 | — | IC50 | = | 4.8 | nM | 8.32 |
| CHEMBL3422258 | — | IC50 | = | 5.9 | nM | 8.23 |
| CHEMBL3422337 | — | IC50 | = | 6.4 | nM | 8.19 |
| CHEMBL3422335 | — | IC50 | = | 9.8 | nM | 8.01 |
| CHEMBL3422341 | — | IC50 | = | 11.5 | nM | 7.94 |
| CHEMBL3421639 | — | IC50 | = | 11.5 | nM | 7.94 |
| CHEMBL3422350 | — | IC50 | = | 11.8 | nM | 7.93 |
| CHEMBL3422346 | — | IC50 | = | 12.1 | nM | 7.92 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 11.9 | nM | 7.92 |
| CHEMBL3422340 | — | IC50 | = | 12.9 | nM | 7.89 |
| CHEMBL3422354 | — | IC50 | = | 13.6 | nM | 7.87 |
| CHEMBL3422339 | — | IC50 | = | 18.8 | nM | 7.73 |
| CHEMBL3422336 | — | IC50 | = | 19.2 | nM | 7.72 |
| CHEMBL3422358 | — | IC50 | = | 20.16 | nM | 7.70 |
| CHEMBL3422342 | — | IC50 | = | 22.5 | nM | 7.65 |
| CHEMBL3422353 | — | IC50 | = | 26.9 | nM | 7.57 |
| CHEMBL3422348 | — | IC50 | = | 27.5 | nM | 7.56 |
| CHEMBL3422347 | — | IC50 | = | 31.6 | nM | 7.50 |
| CHEMBL3422351 | — | IC50 | = | 32.9 | nM | 7.48 |
| CHEMBL3421640 | — | IC50 | = | 36.16 | nM | 7.44 |
| CHEMBL3422355 | — | IC50 | = | 39.4 | nM | 7.41 |
| CHEMBL3422352 | — | IC50 | = | 46.0 | nM | 7.34 |
| CHEMBL3422349 | — | IC50 | = | 66.9 | nM | 7.17 |
| CHEMBL3422343 | — | IC50 | = | 67.8 | nM | 7.17 |
| CHEMBL3422357 | — | IC50 | = | 70.24 | nM | 7.15 |
| CHEMBL3422345 | — | IC50 | = | 113.7 | nM | 6.94 |
| CHEMBL3422356 | — | IC50 | = | 192.0 | nM | 6.72 |
| CHEMBL3422344 | — | IC50 | = | 535.1 | nM | 6.27 |