Assay Detail
ADMET
CHEMBL663531
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Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line
11
Total Activities
11
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
Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 11 | 5.52 | 8.48 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1294 | QUINIDINE | 4.0 | 1 | 8.48 |
| CHEMBL170 | QUININE | 4.0 | 1 | 6.21 |
| CHEMBL452861 | LEVOPROPRANOLOL | 2.0 | 1 | 5.85 |
| CHEMBL52440 | DEXTROMETHORPHAN | 4.0 | 1 | 5.75 |
| CHEMBL275742 | DEXPROPRANOLOL | 2.0 | 1 | 5.72 |
| CHEMBL445 | NORTRIPTYLINE | 4.0 | 1 | 5.64 |
| CHEMBL169901 | DEBRISOQUIN | 2.0 | 1 | 4.62 |
| CHEMBL170988 | PHENFORMIN | 4.0 | 1 | 4.57 |
| CHEMBL2373353 | — | — | 1 | 4.18 |
| CHEMBL355539 | — | — | 1 | 4.13 |
| CHEMBL485 | CODEINE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1294 | QUINIDINE | IC50 | = | 3.3 | nM | 8.48 |
| CHEMBL170 | QUININE | IC50 | = | 610.0 | nM | 6.21 |
| CHEMBL452861 | LEVOPROPRANOLOL | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL52440 | DEXTROMETHORPHAN | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL275742 | DEXPROPRANOLOL | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL445 | NORTRIPTYLINE | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL169901 | DEBRISOQUIN | IC50 | = | 23800.0 | nM | 4.62 |
| CHEMBL170988 | PHENFORMIN | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL2373353 | — | IC50 | = | 66400.0 | nM | 4.18 |
| CHEMBL355539 | — | IC50 | = | 74200.0 | nM | 4.13 |
| CHEMBL485 | CODEINE | IC50 | = | 104000.0 | nM | - |