Assay Detail
ADMET
CHEMBL5049600
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Inhibition of CYP3A4 (unknown origin) using BFC as substrate
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Discovery of (<i>S</i>)-1-((2',6-Bis(difluoromethyl)-[2,4'-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine (BMS-986176/LX-9211): A Highly Selective, CNS Penetrable, and Orally Active Adaptor Protein-2 Associated Kinase 1 Inhibitor in Clinical Trials for the Treatment of Neuropathic Pain.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 5.51 | 6.27 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5089204 | — | — | 1 | 6.27 |
| CHEMBL5074777 | — | — | 1 | 6.20 |
| CHEMBL5079451 | — | — | 1 | 5.89 |
| CHEMBL5085177 | — | — | 1 | 5.62 |
| CHEMBL5079068 | — | — | 1 | 5.06 |
| CHEMBL5088205 | — | — | 1 | 4.80 |
| CHEMBL5082933 | — | — | 1 | 4.75 |
| CHEMBL5086617 | — | — | 1 | - |
| CHEMBL5069779 | — | — | 1 | - |
| CHEMBL5092306 | — | — | 1 | - |
| CHEMBL5085230 | — | — | 1 | - |
| CHEMBL5088856 | — | — | 1 | - |
| CHEMBL5084823 | — | — | 1 | - |
| CHEMBL5093649 | — | — | 1 | - |
| CHEMBL5089410 | PILAVAPADIN | 2.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5089204 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL5074777 | — | IC50 | = | 630.0 | nM | 6.20 |
| CHEMBL5079451 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL5085177 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL5079068 | — | IC50 | = | 8700.0 | nM | 5.06 |
| CHEMBL5088205 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL5082933 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL5086617 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL5069779 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL5092306 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL5085230 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL5088856 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL5084823 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL5093649 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL5089410 | PILAVAPADIN | IC50 | > | 20000.0 | nM | - |