Assay Detail
ADMET
CHEMBL829414
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Inhibitory concentration value against human cytochrome P-450 2D6
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 | 4.53 | 4.95 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL178090 | — | — | 1 | 4.95 |
| CHEMBL178711 | — | — | 1 | 4.89 |
| CHEMBL179529 | — | — | 1 | 4.84 |
| CHEMBL178780 | — | — | 1 | 4.44 |
| CHEMBL179669 | — | — | 1 | 4.03 |
| CHEMBL178516 | — | — | 1 | 4.01 |
| CHEMBL360999 | — | — | 1 | - |
| CHEMBL361364 | — | — | 1 | - |
| CHEMBL178781 | — | — | 1 | - |
| CHEMBL179618 | — | — | 1 | - |
| CHEMBL179398 | — | — | 1 | - |
| CHEMBL362702 | — | — | 1 | - |
| CHEMBL361153 | — | — | 1 | - |
| CHEMBL179005 | — | — | 1 | - |
| CHEMBL179704 | — | — | 1 | - |
| CHEMBL179763 | — | — | 1 | - |
| CHEMBL178534 | — | — | 1 | - |
| CHEMBL178547 | — | — | 1 | - |
| CHEMBL178330 | — | — | 1 | - |
| CHEMBL359657 | — | — | 1 | - |
| CHEMBL179399 | — | — | 1 | - |
| CHEMBL1795039 | — | — | 1 | - |
| CHEMBL178681 | — | — | 1 | - |
| CHEMBL368883 | — | — | 1 | - |
| CHEMBL425519 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL178090 | — | IC50 | = | 11300.0 | nM | 4.95 |
| CHEMBL178711 | — | IC50 | = | 12900.0 | nM | 4.89 |
| CHEMBL179529 | — | IC50 | = | 14400.0 | nM | 4.84 |
| CHEMBL178780 | — | IC50 | = | 36300.0 | nM | 4.44 |
| CHEMBL179669 | — | IC50 | = | 92500.0 | nM | 4.03 |
| CHEMBL178516 | — | IC50 | = | 98000.0 | nM | 4.01 |
| CHEMBL360999 | — | IC50 | = | 217000.0 | nM | - |
| CHEMBL361364 | — | IC50 | = | 344000.0 | nM | - |
| CHEMBL178781 | — | IC50 | = | 297000.0 | nM | - |
| CHEMBL179618 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL179398 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL362702 | — | IC50 | = | 387000.0 | nM | - |
| CHEMBL361153 | — | IC50 | = | 248000.0 | nM | - |
| CHEMBL179005 | — | IC50 | = | 199000.0 | nM | - |
| CHEMBL179704 | — | IC50 | = | 193000.0 | nM | - |
| CHEMBL179763 | — | IC50 | > | 300000.0 | nM | - |
| CHEMBL178534 | — | IC50 | = | 191000.0 | nM | - |
| CHEMBL178547 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL178330 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL359657 | — | IC50 | = | 168000.0 | nM | - |
| CHEMBL179399 | — | IC50 | = | 217000.0 | nM | - |
| CHEMBL1795039 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL178681 | — | IC50 | = | 197000.0 | nM | - |
| CHEMBL368883 | — | IC50 | = | 277000.0 | nM | - |
| CHEMBL425519 | — | IC50 | = | 296000.0 | nM | - |