Assay Detail
ADMET
CHEMBL754768
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory constant for cytochrome P450 2D6
6
Total Activities
6
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 | 6 | 7.15 | 8.48 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3559672 | RAUWOLFIA SERPENTINA | 4.0 | 1 | 8.48 |
| CHEMBL277382 | PRODIPINE | 2.0 | 1 | 8.32 |
| CHEMBL1294 | QUINIDINE | 4.0 | 1 | 7.22 |
| CHEMBL122270 | LOBELINE | 2.0 | 1 | 6.92 |
| CHEMBL15023 | TRIFLUPERIDOL | 2.0 | 1 | 6.77 |
| CHEMBL71 | CHLORPROMAZINE | 4.0 | 1 | 5.16 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3559672 | RAUWOLFIA SERPENTINA | Ki | = | 3.3 | nM | 8.48 |
| CHEMBL277382 | PRODIPINE | Ki | = | 4.8 | nM | 8.32 |
| CHEMBL1294 | QUINIDINE | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL122270 | LOBELINE | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL15023 | TRIFLUPERIDOL | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL71 | CHLORPROMAZINE | Ki | = | 7000.0 | nM | 5.16 |