Assay Detail
ADMET
CHEMBL4181949
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Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence assay
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Subcellular | Microsomal Membrane |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
(E)-3-(3,4,5-Trimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one, a heterocyclic chalcone is a potent and selective CYP1A1 inhibitor and cancer chemopreventive agent.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 14 | 6.56 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4212722 | — | — | 1 | 7.70 |
| CHEMBL4214111 | — | — | 1 | 7.55 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 7.52 |
| CHEMBL4209004 | — | — | 1 | 7.50 |
| CHEMBL1568243 | — | — | 1 | 7.46 |
| CHEMBL2237710 | — | — | 1 | 6.98 |
| CHEMBL4202990 | — | — | 1 | 6.92 |
| CHEMBL4210137 | — | — | 1 | 6.11 |
| CHEMBL4218749 | — | — | 1 | 5.96 |
| CHEMBL4211876 | — | — | 1 | 5.92 |
| CHEMBL4205073 | — | — | 1 | 5.88 |
| CHEMBL4210776 | — | — | 1 | 5.82 |
| CHEMBL4213815 | — | — | 1 | 5.59 |
| CHEMBL2237704 | — | — | 1 | 4.92 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4212722 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL4214111 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL4209004 | — | IC50 | = | 32.0 | nM | 7.50 |
| CHEMBL1568243 | — | IC50 | = | 35.0 | nM | 7.46 |
| CHEMBL2237710 | — | IC50 | = | 104.0 | nM | 6.98 |
| CHEMBL4202990 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL4210137 | — | IC50 | = | 780.0 | nM | 6.11 |
| CHEMBL4218749 | — | IC50 | = | 1090.0 | nM | 5.96 |
| CHEMBL4211876 | — | IC50 | = | 1190.0 | nM | 5.92 |
| CHEMBL4205073 | — | IC50 | = | 1320.0 | nM | 5.88 |
| CHEMBL4210776 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL4213815 | — | IC50 | = | 2580.0 | nM | 5.59 |
| CHEMBL2237704 | — | IC50 | = | 12000.0 | nM | 4.92 |