Assay Detail
ADMET
CHEMBL4150900
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
37
Total Activities
37
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
Identification of the 4-Position of 3-Alkynyl and 3-Heteroaromatic Substituted Pyridine Methanamines as a Key Modification Site Eliciting Increased Potency and Enhanced Selectivity for Cytochrome P-450 2A6 Inhibition.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 37 | 6.44 | 7.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4161819 | — | — | 1 | 7.77 |
| CHEMBL4165249 | — | — | 1 | 7.38 |
| CHEMBL4173133 | — | — | 1 | 7.29 |
| CHEMBL4173088 | — | — | 1 | 7.26 |
| CHEMBL4160749 | — | — | 1 | 7.12 |
| CHEMBL4169324 | — | — | 1 | 6.96 |
| CHEMBL4164113 | — | — | 1 | 6.89 |
| CHEMBL4169721 | — | — | 1 | 6.85 |
| CHEMBL4168669 | — | — | 1 | 6.80 |
| CHEMBL4171558 | — | — | 1 | 6.80 |
| CHEMBL4176100 | — | — | 1 | 6.66 |
| CHEMBL4161400 | — | — | 1 | 6.54 |
| CHEMBL4176506 | — | — | 1 | 6.52 |
| CHEMBL4172017 | — | — | 1 | 6.48 |
| CHEMBL4165895 | — | — | 1 | 6.42 |
| CHEMBL4172417 | — | — | 1 | 6.41 |
| CHEMBL4159065 | — | — | 1 | 6.40 |
| CHEMBL4175869 | — | — | 1 | 6.39 |
| CHEMBL4171984 | — | — | 1 | 6.36 |
| CHEMBL4164142 | — | — | 1 | 6.34 |
| CHEMBL4172462 | — | — | 1 | 6.26 |
| CHEMBL4163694 | — | — | 1 | 6.25 |
| CHEMBL4170930 | — | — | 1 | 6.23 |
| CHEMBL4174365 | — | — | 1 | 6.17 |
| CHEMBL4175429 | — | — | 1 | 6.08 |
| CHEMBL4162449 | — | — | 1 | 6.00 |
| CHEMBL4165094 | — | — | 1 | 5.92 |
| CHEMBL4168256 | — | — | 1 | 5.89 |
| CHEMBL4161777 | — | — | 1 | 5.57 |
| CHEMBL4167560 | — | — | 1 | 5.47 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4161819 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL4165249 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL4173133 | — | IC50 | = | 51.0 | nM | 7.29 |
| CHEMBL4173088 | — | IC50 | = | 55.0 | nM | 7.26 |
| CHEMBL4160749 | — | IC50 | = | 76.0 | nM | 7.12 |
| CHEMBL4169324 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL4164113 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL4169721 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL4168669 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL4171558 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL4176100 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL4161400 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL4176506 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL4172017 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL4165895 | — | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL4172417 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL4159065 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL4175869 | — | IC50 | = | 410.0 | nM | 6.39 |
| CHEMBL4171984 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL4164142 | — | IC50 | = | 460.0 | nM | 6.34 |
| CHEMBL4172462 | — | IC50 | = | 550.0 | nM | 6.26 |
| CHEMBL4163694 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL4170930 | — | IC50 | = | 590.0 | nM | 6.23 |
| CHEMBL4174365 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL4175429 | — | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL4162449 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL4165094 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL4168256 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL4161777 | — | IC50 | = | 2700.0 | nM | 5.57 |
| CHEMBL4167560 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL4160326 | — | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL4164781 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL4160946 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4173203 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4169290 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4172676 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4162411 | — | IC50 | > | 10000.0 | nM | - |