Assay Detail
ADMET
CHEMBL758056
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formation
5
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 5 | 5.73 | 7.37 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1294 | QUINIDINE | 4.0 | 1 | 7.37 |
| CHEMBL15245 | YOHIMBINE | 3.0 | 1 | 6.28 |
| CHEMBL2079612 | — | — | 2 | 5.58 |
| CHEMBL170 | QUININE | 4.0 | 1 | 4.82 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1294 | QUINIDINE | Ki | = | 43.0 | nM | 7.37 |
| CHEMBL15245 | YOHIMBINE | Ki | = | 520.0 | nM | 6.28 |
| CHEMBL2079612 | — | Ki | = | 2600.0 | nM | 5.58 |
| CHEMBL170 | QUININE | Ki | = | 15000.0 | nM | 4.82 |
| CHEMBL2079612 | — | Ki | = | 25000.0 | nM | 4.60 |