Assay Detail
ADMET
CHEMBL2020722
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Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins by LC-MS/MS analysis
32
Total Activities
32
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 | Autocuration |
Publication
Ligand-based design of a potent and selective inhibitor of cytochrome P450 2C19.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 32 | 5.37 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2018923 | — | — | 1 | 7.70 |
| CHEMBL2018920 | — | — | 1 | 7.05 |
| CHEMBL2018926 | — | — | 1 | 6.92 |
| CHEMBL2018915 | — | — | 1 | 6.92 |
| CHEMBL2018921 | — | — | 1 | 6.39 |
| CHEMBL2018919 | — | — | 1 | 5.91 |
| CHEMBL2018918 | — | — | 1 | 5.87 |
| CHEMBL2018925 | — | — | 1 | 5.82 |
| CHEMBL2018905 | — | — | 1 | 5.71 |
| CHEMBL2018917 | — | — | 1 | 5.69 |
| CHEMBL2019026 | — | — | 1 | 5.66 |
| CHEMBL2018903 | — | — | 1 | 5.58 |
| CHEMBL2018907 | — | — | 1 | 5.58 |
| CHEMBL502335 | — | — | 1 | 5.56 |
| CHEMBL2018913 | — | — | 1 | 5.38 |
| CHEMBL2018916 | — | — | 1 | 5.37 |
| CHEMBL2018906 | — | — | 1 | 5.31 |
| CHEMBL2018908 | — | — | 1 | 5.27 |
| CHEMBL296580 | — | — | 1 | 5.06 |
| CHEMBL488400 | — | — | 1 | 5.04 |
| CHEMBL2018924 | — | — | 1 | 4.98 |
| CHEMBL2018909 | — | — | 1 | 4.94 |
| CHEMBL2019022 | — | — | 1 | 4.88 |
| CHEMBL2018904 | — | — | 1 | 4.71 |
| CHEMBL2018911 | — | — | 1 | 4.53 |
| CHEMBL2018914 | — | — | 1 | 4.30 |
| CHEMBL2018922 | — | — | 1 | 4.30 |
| CHEMBL2019023 | — | — | 1 | 4.30 |
| CHEMBL2018910 | — | — | 1 | 4.30 |
| CHEMBL2019024 | — | — | 1 | 4.30 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2018923 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL2018920 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL2018926 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL2018915 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL2018921 | — | IC50 | = | 410.0 | nM | 6.39 |
| CHEMBL2018919 | — | IC50 | = | 1230.0 | nM | 5.91 |
| CHEMBL2018918 | — | IC50 | = | 1360.0 | nM | 5.87 |
| CHEMBL2018925 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL2018905 | — | IC50 | = | 1940.0 | nM | 5.71 |
| CHEMBL2018917 | — | IC50 | = | 2050.0 | nM | 5.69 |
| CHEMBL2019026 | — | IC50 | = | 2170.0 | nM | 5.66 |
| CHEMBL2018903 | — | IC50 | = | 2630.0 | nM | 5.58 |
| CHEMBL2018907 | — | IC50 | = | 2610.0 | nM | 5.58 |
| CHEMBL502335 | — | IC50 | = | 2730.0 | nM | 5.56 |
| CHEMBL2018913 | — | IC50 | = | 4170.0 | nM | 5.38 |
| CHEMBL2018916 | — | IC50 | = | 4280.0 | nM | 5.37 |
| CHEMBL2018906 | — | IC50 | = | 4930.0 | nM | 5.31 |
| CHEMBL2018908 | — | IC50 | = | 5330.0 | nM | 5.27 |
| CHEMBL296580 | — | IC50 | = | 8790.0 | nM | 5.06 |
| CHEMBL488400 | — | IC50 | = | 9120.0 | nM | 5.04 |
| CHEMBL2018924 | — | IC50 | = | 10500.0 | nM | 4.98 |
| CHEMBL2018909 | — | IC50 | = | 11600.0 | nM | 4.94 |
| CHEMBL2019022 | — | IC50 | = | 13150.0 | nM | 4.88 |
| CHEMBL2018904 | — | IC50 | = | 19400.0 | nM | 4.71 |
| CHEMBL2018911 | — | IC50 | = | 29400.0 | nM | 4.53 |
| CHEMBL2018914 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2018922 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2019023 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2018910 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2019024 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2019025 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2018912 | — | IC50 | = | 50000.0 | nM | 4.30 |