Assay Detail
ADMET
CHEMBL2020672
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Inhibition of CYP1A2 in human liver microsomes using phenacetin 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 | 5.46 | 6.41 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2018907 | — | — | 1 | 6.41 |
| CHEMBL2018904 | — | — | 1 | 6.36 |
| CHEMBL2018925 | — | — | 1 | 6.20 |
| CHEMBL2018923 | — | — | 1 | 6.17 |
| CHEMBL2018903 | — | — | 1 | 6.15 |
| CHEMBL2018924 | — | — | 1 | 6.14 |
| CHEMBL2018908 | — | — | 1 | 6.10 |
| CHEMBL2018920 | — | — | 1 | 6.09 |
| CHEMBL2018905 | — | — | 1 | 6.03 |
| CHEMBL2018919 | — | — | 1 | 6.02 |
| CHEMBL2018911 | — | — | 1 | 6.02 |
| CHEMBL2018909 | — | — | 1 | 5.99 |
| CHEMBL502335 | — | — | 1 | 5.87 |
| CHEMBL2018916 | — | — | 1 | 5.86 |
| CHEMBL2018917 | — | — | 1 | 5.83 |
| CHEMBL2018921 | — | — | 1 | 5.74 |
| CHEMBL2018906 | — | — | 1 | 5.63 |
| CHEMBL2018912 | — | — | 1 | 5.57 |
| CHEMBL2019024 | — | — | 1 | 5.48 |
| CHEMBL2018913 | — | — | 1 | 5.09 |
| CHEMBL2019022 | — | — | 1 | 5.07 |
| CHEMBL488400 | — | — | 1 | 4.97 |
| CHEMBL296580 | — | — | 1 | 4.89 |
| CHEMBL2019026 | — | — | 1 | 4.30 |
| CHEMBL2019025 | — | — | 1 | 4.30 |
| CHEMBL2019023 | — | — | 1 | 4.30 |
| CHEMBL2018910 | — | — | 1 | 4.30 |
| CHEMBL2018922 | — | — | 1 | 4.30 |
| CHEMBL2018918 | — | — | 1 | 4.30 |
| CHEMBL2018914 | — | — | 1 | 4.30 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2018907 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL2018904 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL2018925 | — | IC50 | = | 630.0 | nM | 6.20 |
| CHEMBL2018923 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL2018903 | — | IC50 | = | 710.0 | nM | 6.15 |
| CHEMBL2018924 | — | IC50 | = | 730.0 | nM | 6.14 |
| CHEMBL2018908 | — | IC50 | = | 790.0 | nM | 6.10 |
| CHEMBL2018920 | — | IC50 | = | 810.0 | nM | 6.09 |
| CHEMBL2018905 | — | IC50 | = | 930.0 | nM | 6.03 |
| CHEMBL2018919 | — | IC50 | = | 950.0 | nM | 6.02 |
| CHEMBL2018911 | — | IC50 | = | 950.0 | nM | 6.02 |
| CHEMBL2018909 | — | IC50 | = | 1020.0 | nM | 5.99 |
| CHEMBL502335 | — | IC50 | = | 1340.0 | nM | 5.87 |
| CHEMBL2018916 | — | IC50 | = | 1390.0 | nM | 5.86 |
| CHEMBL2018917 | — | IC50 | = | 1480.0 | nM | 5.83 |
| CHEMBL2018921 | — | IC50 | = | 1810.0 | nM | 5.74 |
| CHEMBL2018906 | — | IC50 | = | 2340.0 | nM | 5.63 |
| CHEMBL2018912 | — | IC50 | = | 2670.0 | nM | 5.57 |
| CHEMBL2019024 | — | IC50 | = | 3290.0 | nM | 5.48 |
| CHEMBL2018913 | — | IC50 | = | 8080.0 | nM | 5.09 |
| CHEMBL2019022 | — | IC50 | = | 8560.0 | nM | 5.07 |
| CHEMBL488400 | — | IC50 | = | 10690.0 | nM | 4.97 |
| CHEMBL296580 | — | IC50 | = | 12940.0 | nM | 4.89 |
| CHEMBL2019026 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2019025 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2019023 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2018910 | — | IC50 | = | 49900.0 | nM | 4.30 |
| CHEMBL2018922 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2018918 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2018914 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL2018926 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL2018915 | — | IC50 | - | — | - |