Assay Detail
ADMET
CHEMBL2343885
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Inhibition of human recombinant CYP2D6 by luminescence assay
16
Total Activities
16
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
A novel class of 3-(phenoxy-phenyl-methyl)-pyrrolidines as potent and balanced norepinephrine and serotonin reuptake inhibitors: synthesis and structure-activity relationships.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 5.76 | 6.60 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2337594 | — | — | 1 | 6.60 |
| CHEMBL2338036 | — | — | 1 | 6.50 |
| CHEMBL2338035 | — | — | 1 | 6.30 |
| CHEMBL2337607 | — | — | 1 | 6.20 |
| CHEMBL2337602 | — | — | 1 | 6.10 |
| CHEMBL2338043 | — | — | 1 | 6.00 |
| CHEMBL2338042 | — | — | 1 | 5.90 |
| CHEMBL2338049 | — | — | 1 | 5.70 |
| CHEMBL2338041 | — | — | 1 | 5.70 |
| CHEMBL1175 | DULOXETINE | 4.0 | 1 | 5.70 |
| CHEMBL180101 | ESREBOXETINE | 3.0 | 1 | 5.50 |
| CHEMBL2338053 | — | — | 1 | 5.40 |
| CHEMBL2338048 | — | — | 1 | 5.40 |
| CHEMBL2337608 | — | — | 1 | 5.40 |
| CHEMBL2338038 | — | — | 1 | 5.30 |
| CHEMBL259209 | MILNACIPRAN | 4.0 | 1 | 4.50 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2337594 | — | IC50 | = | 251.19 | nM | 6.60 |
| CHEMBL2338036 | — | IC50 | = | 316.23 | nM | 6.50 |
| CHEMBL2338035 | — | IC50 | = | 501.19 | nM | 6.30 |
| CHEMBL2337607 | — | IC50 | = | 630.96 | nM | 6.20 |
| CHEMBL2337602 | — | IC50 | = | 794.33 | nM | 6.10 |
| CHEMBL2338043 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL2338042 | — | IC50 | = | 1258.93 | nM | 5.90 |
| CHEMBL2338049 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL2338041 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL1175 | DULOXETINE | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL180101 | ESREBOXETINE | IC50 | = | 3162.28 | nM | 5.50 |
| CHEMBL2338053 | — | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL2338048 | — | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL2337608 | — | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL2338038 | — | IC50 | = | 5011.87 | nM | 5.30 |
| CHEMBL259209 | MILNACIPRAN | IC50 | = | 31622.78 | nM | 4.50 |