Assay Detail
ADMET
CHEMBL2215825
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Inhibition of human recombinant CYP3A4 using resorufin benzyl ether after 30 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 | 5.10 | 5.36 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2204359 | — | — | 1 | 5.36 |
| CHEMBL2204363 | — | — | 1 | 5.26 |
| CHEMBL2204356 | — | — | 1 | 5.21 |
| CHEMBL2205043 | — | — | 1 | 5.17 |
| CHEMBL2204357 | — | — | 1 | 5.06 |
| CHEMBL2204360 | — | — | 1 | 5.00 |
| CHEMBL2205054 | — | — | 1 | 4.96 |
| CHEMBL2205045 | — | — | 1 | 4.80 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2204359 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL2204363 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL2204356 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL2205043 | — | IC50 | = | 6800.0 | nM | 5.17 |
| CHEMBL2204357 | — | IC50 | = | 8700.0 | nM | 5.06 |
| CHEMBL2204360 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL2205054 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL2205045 | — | IC50 | = | 16000.0 | nM | 4.80 |