Assay Detail
ADMET
CHEMBL827154
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Inhibitory concentration against cytochrome P450 2D6
37
Total Activities
35
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 37 | 5.24 | 8.08 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL15245 | YOHIMBINE | 3.0 | 1 | 8.08 |
| CHEMBL1294 | QUINIDINE | 4.0 | 1 | 8.00 |
| CHEMBL22077 | HYCANTHONE | 2.0 | 1 | 5.82 |
| CHEMBL188237 | — | — | 1 | 5.80 |
| CHEMBL588619 | CINCHONINE | -1.0 | 1 | 5.75 |
| CHEMBL189724 | — | — | 1 | 5.68 |
| CHEMBL187216 | — | — | 1 | 5.66 |
| CHEMBL363332 | — | — | 1 | 5.62 |
| CHEMBL445 | NORTRIPTYLINE | 4.0 | 1 | 5.58 |
| CHEMBL188641 | — | — | 2 | 5.46 |
| CHEMBL422093 | — | — | 1 | 5.14 |
| CHEMBL189830 | — | — | 1 | 5.14 |
| CHEMBL364208 | — | — | 1 | 5.10 |
| CHEMBL186039 | — | — | 1 | 5.07 |
| CHEMBL188797 | — | — | 1 | 5.06 |
| CHEMBL43 | AMSACRINE | 4.0 | 2 | 4.99 |
| CHEMBL284134 | — | — | 1 | 4.96 |
| CHEMBL188427 | ACODAZOLE | 2.0 | 1 | 4.74 |
| CHEMBL84440 | — | — | 1 | 4.52 |
| CHEMBL428676 | AMONAFIDE | 3.0 | 1 | 4.40 |
| CHEMBL114283 | DANIQUIDONE | 2.0 | 1 | 4.32 |
| CHEMBL515 | CHLORAMBUCIL | 4.0 | 1 | 4.19 |
| CHEMBL58 | MITOXANTRONE | 4.0 | 1 | 4.12 |
| CHEMBL188642 | — | — | 1 | 4.03 |
| CHEMBL186414 | — | — | 1 | - |
| CHEMBL363082 | — | — | 1 | - |
| CHEMBL182440 | — | — | 1 | - |
| CHEMBL188374 | — | — | 1 | - |
| CHEMBL189023 | — | — | 1 | - |
| CHEMBL509895 | BRUCEANTIN | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL15245 | YOHIMBINE | IC50 | = | 8.4 | nM | 8.08 |
| CHEMBL1294 | QUINIDINE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL22077 | HYCANTHONE | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL188237 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL588619 | CINCHONINE | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL189724 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL187216 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL363332 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL445 | NORTRIPTYLINE | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL188641 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL422093 | — | IC50 | = | 7300.0 | nM | 5.14 |
| CHEMBL189830 | — | IC50 | = | 7200.0 | nM | 5.14 |
| CHEMBL364208 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL186039 | — | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL188797 | — | IC50 | = | 8700.0 | nM | 5.06 |
| CHEMBL43 | AMSACRINE | IC50 | = | 10200.0 | nM | 4.99 |
| CHEMBL43 | AMSACRINE | IC50 | = | 10500.0 | nM | 4.98 |
| CHEMBL284134 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL188427 | ACODAZOLE | IC50 | = | 18100.0 | nM | 4.74 |
| CHEMBL84440 | — | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL428676 | AMONAFIDE | IC50 | = | 39600.0 | nM | 4.40 |
| CHEMBL114283 | DANIQUIDONE | IC50 | = | 48000.0 | nM | 4.32 |
| CHEMBL515 | CHLORAMBUCIL | IC50 | = | 65100.0 | nM | 4.19 |
| CHEMBL188641 | — | IC50 | = | 71000.0 | nM | 4.15 |
| CHEMBL58 | MITOXANTRONE | IC50 | = | 76300.0 | nM | 4.12 |
| CHEMBL188642 | — | IC50 | = | 94300.0 | nM | 4.03 |
| CHEMBL361064 | — | IC50 | = | 554000.0 | nM | - |
| CHEMBL43326 | — | IC50 | = | 196000.0 | nM | - |
| CHEMBL185952 | — | IC50 | = | 310000.0 | nM | - |
| CHEMBL186292 | — | IC50 | = | 570000.0 | nM | - |
| CHEMBL187575 | — | IC50 | = | 265000.0 | nM | - |
| CHEMBL509895 | BRUCEANTIN | IC50 | = | 514000.0 | nM | - |
| CHEMBL189023 | — | IC50 | = | 288000.0 | nM | - |
| CHEMBL188374 | — | IC50 | = | 1017000.0 | nM | - |
| CHEMBL182440 | — | IC50 | = | 699000.0 | nM | - |
| CHEMBL363082 | — | IC50 | = | 2021000.0 | nM | - |
| CHEMBL186414 | — | IC50 | = | 234000.0 | nM | - |