Assay Detail
ADMET
CHEMBL4039221
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Inhibition of CYP1A2 in human liver microsomes using tacrine as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsomes |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Discovery of N-(5-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-yloxy)picolinamide (VU0424238): A Novel Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 5 Selected for Clinical Evaluation.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 6.23 | 7.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4077672 | — | — | 1 | 7.00 |
| CHEMBL2386849 | — | — | 1 | 6.70 |
| CHEMBL4096818 | — | — | 1 | 6.70 |
| CHEMBL4076771 | — | — | 1 | 6.52 |
| CHEMBL4062697 | — | — | 1 | 6.40 |
| CHEMBL4095685 | — | — | 1 | 6.22 |
| CHEMBL2386772 | — | — | 1 | 6.05 |
| CHEMBL4082854 | — | — | 1 | 6.05 |
| CHEMBL2386850 | — | — | 1 | 6.00 |
| CHEMBL4103707 | — | — | 1 | 5.62 |
| CHEMBL4090661 | — | — | 1 | 5.22 |
| CHEMBL2440659 | — | — | 1 | - |
| CHEMBL3660237 | — | — | 1 | - |
| CHEMBL4100830 | — | — | 1 | - |
| CHEMBL2386771 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4077672 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL2386849 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL4096818 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL4076771 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL4062697 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL4095685 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL2386772 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL4082854 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL2386850 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL4103707 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL4090661 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL2440659 | — | IC50 | < | 100.0 | nM | - |
| CHEMBL3660237 | — | IC50 | < | 100.0 | nM | - |
| CHEMBL4100830 | — | IC50 | < | 100.0 | nM | - |
| CHEMBL2386771 | — | IC50 | > | 30000.0 | nM | - |