Assay Detail
ADMET
CHEMBL998748
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Inhibition of recombinant CYP32D6
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Publication
Structure-activity relationships of chiral selective norepinephrine reuptake inhibitors (sNRI) with increased oxidative stability.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 29 | 6.03 | 7.16 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL498482 | — | — | 1 | 7.16 |
| CHEMBL498481 | — | — | 1 | 7.05 |
| CHEMBL498142 | — | — | 1 | 6.75 |
| CHEMBL452429 | — | — | 1 | 6.70 |
| CHEMBL498495 | — | — | 1 | 6.68 |
| CHEMBL497512 | — | — | 1 | 6.66 |
| CHEMBL497846 | — | — | 1 | 6.51 |
| CHEMBL526270 | — | — | 1 | 6.43 |
| CHEMBL525238 | — | — | 1 | 6.40 |
| CHEMBL510352 | — | — | 1 | 6.36 |
| CHEMBL448375 | — | — | 1 | 6.16 |
| CHEMBL444742 | — | — | 1 | 6.13 |
| CHEMBL526669 | — | — | 1 | 6.10 |
| CHEMBL505433 | — | — | 1 | 6.10 |
| CHEMBL525375 | — | — | 1 | 6.10 |
| CHEMBL498120 | — | — | 1 | 6.06 |
| CHEMBL497479 | — | — | 1 | 5.92 |
| CHEMBL498141 | — | — | 1 | 5.85 |
| CHEMBL497463 | — | — | 1 | 5.85 |
| CHEMBL498509 | — | — | 1 | 5.80 |
| CHEMBL445082 | — | — | 1 | 5.80 |
| CHEMBL641 | ATOMOXETINE | 4.0 | 1 | 5.70 |
| CHEMBL524798 | — | — | 1 | 5.40 |
| CHEMBL504606 | — | — | 1 | 5.39 |
| CHEMBL443952 | — | — | 1 | 5.30 |
| CHEMBL497461 | — | — | 1 | 5.24 |
| CHEMBL525717 | — | — | 1 | 5.24 |
| CHEMBL524313 | — | — | 1 | 5.05 |
| CHEMBL525532 | — | — | 1 | 4.92 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL498482 | — | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL498481 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL498142 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL452429 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL498495 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL497512 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL497846 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL526270 | — | IC50 | = | 370.0 | nM | 6.43 |
| CHEMBL525238 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL510352 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL448375 | — | IC50 | = | 700.0 | nM | 6.16 |
| CHEMBL444742 | — | IC50 | = | 740.0 | nM | 6.13 |
| CHEMBL526669 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL505433 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL525375 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL498120 | — | IC50 | = | 880.0 | nM | 6.06 |
| CHEMBL497479 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL498141 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL497463 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL498509 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL445082 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL641 | ATOMOXETINE | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL524798 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL504606 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL443952 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL497461 | — | IC50 | = | 5800.0 | nM | 5.24 |
| CHEMBL525717 | — | IC50 | = | 5700.0 | nM | 5.24 |
| CHEMBL524313 | — | IC50 | = | 9000.0 | nM | 5.05 |
| CHEMBL525532 | — | IC50 | = | 12000.0 | nM | 4.92 |