Assay Detail
ADMET
CHEMBL2215828
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Inhibition of human recombinant CYP1A2 using 7-ethoxy-3-cyanocoumarin after 28 mins by fluorescence spectrophotometric analysis
8
Total Activities
8
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
Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 8 | 4.48 | 4.62 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2204357 | — | — | 1 | 4.62 |
| CHEMBL2205054 | — | — | 1 | 4.58 |
| CHEMBL2204359 | — | — | 1 | 4.57 |
| CHEMBL2204356 | — | — | 1 | 4.50 |
| CHEMBL2204363 | — | — | 1 | 4.47 |
| CHEMBL2204360 | — | — | 1 | 4.40 |
| CHEMBL2205045 | — | — | 1 | 4.40 |
| CHEMBL2205043 | — | — | 1 | 4.28 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2204357 | — | IC50 | = | 24000.0 | nM | 4.62 |
| CHEMBL2205054 | — | IC50 | = | 26000.0 | nM | 4.58 |
| CHEMBL2204359 | — | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL2204356 | — | IC50 | = | 32000.0 | nM | 4.50 |
| CHEMBL2204363 | — | IC50 | = | 34000.0 | nM | 4.47 |
| CHEMBL2204360 | — | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL2205045 | — | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL2205043 | — | IC50 | = | 53000.0 | nM | 4.28 |