Assay Detail
ADMET
CHEMBL729205
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of 1'-hydroxybufuralol formation by human liver microsomes
6
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsome |
| 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 | 6 | 5.80 | 7.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3559672 | RAUWOLFIA SERPENTINA | 4.0 | 1 | 7.89 |
| CHEMBL15245 | YOHIMBINE | 3.0 | 1 | 6.72 |
| CHEMBL428695 | — | — | 1 | 5.50 |
| CHEMBL2079612 | — | — | 2 | 5.27 |
| CHEMBL2079610 | — | — | 1 | 4.62 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3559672 | RAUWOLFIA SERPENTINA | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL15245 | YOHIMBINE | Ki | = | 190.0 | nM | 6.72 |
| CHEMBL428695 | — | Ki | = | 3200.0 | nM | 5.50 |
| CHEMBL2079612 | — | Ki | = | 5400.0 | nM | 5.27 |
| CHEMBL2079612 | — | Ki | = | 16000.0 | nM | 4.80 |
| CHEMBL2079610 | — | Ki | = | 24000.0 | nM | 4.62 |