Assay Detail
ADMET
CHEMBL829411
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Inhibitory concentration value against human cytochrome P-450 2A6
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 25 | 5.62 | 6.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL359657 | — | — | 1 | 6.77 |
| CHEMBL178090 | — | — | 1 | 6.57 |
| CHEMBL179669 | — | — | 1 | 6.21 |
| CHEMBL360999 | — | — | 1 | 6.12 |
| CHEMBL179399 | — | — | 1 | 6.12 |
| CHEMBL178781 | — | — | 1 | 6.00 |
| CHEMBL425519 | — | — | 1 | 5.89 |
| CHEMBL361153 | — | — | 1 | 5.85 |
| CHEMBL178534 | — | — | 1 | 5.85 |
| CHEMBL178780 | — | — | 1 | 5.85 |
| CHEMBL368883 | — | — | 1 | 5.82 |
| CHEMBL178516 | — | — | 1 | 5.82 |
| CHEMBL179704 | — | — | 1 | 5.82 |
| CHEMBL361364 | — | — | 1 | 5.51 |
| CHEMBL179529 | — | — | 1 | 5.46 |
| CHEMBL178681 | — | — | 1 | 5.43 |
| CHEMBL178330 | — | — | 1 | 5.38 |
| CHEMBL179398 | — | — | 1 | 5.32 |
| CHEMBL179005 | — | — | 1 | 5.24 |
| CHEMBL179763 | — | — | 1 | 5.18 |
| CHEMBL178711 | — | — | 1 | 5.13 |
| CHEMBL179618 | — | — | 1 | 5.11 |
| CHEMBL362702 | — | — | 1 | 5.07 |
| CHEMBL1795039 | — | — | 1 | 5.01 |
| CHEMBL178547 | — | — | 1 | 4.08 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL359657 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL178090 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL179669 | — | IC50 | = | 620.0 | nM | 6.21 |
| CHEMBL360999 | — | IC50 | = | 750.0 | nM | 6.12 |
| CHEMBL179399 | — | IC50 | = | 750.0 | nM | 6.12 |
| CHEMBL178781 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL425519 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL361153 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL178534 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL178780 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL368883 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL178516 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL179704 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL361364 | — | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL179529 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL178681 | — | IC50 | = | 3700.0 | nM | 5.43 |
| CHEMBL178330 | — | IC50 | = | 4200.0 | nM | 5.38 |
| CHEMBL179398 | — | IC50 | = | 4800.0 | nM | 5.32 |
| CHEMBL179005 | — | IC50 | = | 5800.0 | nM | 5.24 |
| CHEMBL179763 | — | IC50 | = | 6600.0 | nM | 5.18 |
| CHEMBL178711 | — | IC50 | = | 7400.0 | nM | 5.13 |
| CHEMBL179618 | — | IC50 | = | 7800.0 | nM | 5.11 |
| CHEMBL362702 | — | IC50 | = | 8600.0 | nM | 5.07 |
| CHEMBL1795039 | — | IC50 | = | 9800.0 | nM | 5.01 |
| CHEMBL178547 | — | IC50 | = | 82300.0 | nM | 4.08 |