Assay Detail
ADMET
CHEMBL950431
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Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
28
Total Activities
27
Compounds Tested
2
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
Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 27 | 5.06 | 6.42 |
| Activity | 1 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL487569 | — | — | 2 | 6.42 |
| CHEMBL486950 | — | — | 1 | 6.13 |
| CHEMBL485972 | — | — | 1 | 5.60 |
| CHEMBL520238 | — | — | 1 | 5.07 |
| CHEMBL487554 | — | — | 1 | 4.96 |
| CHEMBL519383 | — | — | 1 | 4.85 |
| CHEMBL519549 | — | — | 1 | 4.80 |
| CHEMBL486140 | — | — | 1 | 4.77 |
| CHEMBL458242 | — | — | 1 | 4.75 |
| CHEMBL486130 | — | — | 1 | 4.75 |
| CHEMBL485752 | — | — | 1 | 4.70 |
| CHEMBL487572 | — | — | 1 | 4.60 |
| CHEMBL487765 | — | — | 1 | 4.37 |
| CHEMBL487766 | — | — | 1 | - |
| CHEMBL486745 | — | — | 1 | - |
| CHEMBL486131 | — | — | 1 | - |
| CHEMBL521029 | — | — | 1 | - |
| CHEMBL520229 | — | — | 1 | - |
| CHEMBL487372 | — | — | 1 | - |
| CHEMBL485765 | — | — | 1 | - |
| CHEMBL520036 | — | — | 1 | - |
| CHEMBL486162 | — | — | 1 | - |
| CHEMBL487553 | — | — | 1 | - |
| CHEMBL521223 | — | — | 1 | - |
| CHEMBL485950 | — | — | 1 | - |
| CHEMBL487371 | — | — | 1 | - |
| CHEMBL521356 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL487569 | — | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL486950 | — | IC50 | = | 740.0 | nM | 6.13 |
| CHEMBL485972 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL520238 | — | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL487554 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL519383 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL519549 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL486140 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL458242 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL486130 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL485752 | — | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL487572 | — | IC50 | = | 25000.0 | nM | 4.60 |
| CHEMBL487765 | — | IC50 | = | 43000.0 | nM | 4.37 |
| CHEMBL487766 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL486745 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL486131 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL521029 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL520229 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL487372 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL485765 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL520036 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL486162 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL487553 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL521223 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL485950 | — | IC50 | - | — | - | |
| CHEMBL487371 | — | IC50 | - | — | - | |
| CHEMBL521356 | — | IC50 | - | — | - | |
| CHEMBL487569 | — | Activity | - | — | - |