Assay Detail
ADMET
CHEMBL829416
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Inhibitory concentration value against human cytochrome P-450 3A4
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 | 4.43 | 5.22 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL179669 | — | — | 1 | 5.22 |
| CHEMBL179529 | — | — | 1 | 5.20 |
| CHEMBL178534 | — | — | 1 | 4.89 |
| CHEMBL179398 | — | — | 1 | 4.62 |
| CHEMBL362702 | — | — | 1 | 4.57 |
| CHEMBL425519 | — | — | 1 | 4.41 |
| CHEMBL178090 | — | — | 1 | 4.33 |
| CHEMBL1795039 | — | — | 1 | 4.29 |
| CHEMBL361153 | — | — | 1 | 4.25 |
| CHEMBL179618 | — | — | 1 | 4.24 |
| CHEMBL359657 | — | — | 1 | 4.23 |
| CHEMBL179763 | — | — | 1 | 4.19 |
| CHEMBL178780 | — | — | 1 | 4.12 |
| CHEMBL178681 | — | — | 1 | 4.11 |
| CHEMBL361364 | — | — | 1 | 4.10 |
| CHEMBL179704 | — | — | 1 | 4.09 |
| CHEMBL368883 | — | — | 1 | - |
| CHEMBL179399 | — | — | 1 | - |
| CHEMBL178711 | — | — | 1 | - |
| CHEMBL178330 | — | — | 1 | - |
| CHEMBL178547 | — | — | 1 | - |
| CHEMBL178516 | — | — | 1 | - |
| CHEMBL179005 | — | — | 1 | - |
| CHEMBL178781 | — | — | 1 | - |
| CHEMBL360999 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL179669 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL179529 | — | IC50 | = | 6300.0 | nM | 5.20 |
| CHEMBL178534 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL179398 | — | IC50 | = | 23900.0 | nM | 4.62 |
| CHEMBL362702 | — | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL425519 | — | IC50 | = | 39100.0 | nM | 4.41 |
| CHEMBL178090 | — | IC50 | = | 47100.0 | nM | 4.33 |
| CHEMBL1795039 | — | IC50 | = | 51900.0 | nM | 4.29 |
| CHEMBL361153 | — | IC50 | = | 56900.0 | nM | 4.25 |
| CHEMBL179618 | — | IC50 | = | 57000.0 | nM | 4.24 |
| CHEMBL359657 | — | IC50 | = | 58700.0 | nM | 4.23 |
| CHEMBL179763 | — | IC50 | = | 64700.0 | nM | 4.19 |
| CHEMBL178780 | — | IC50 | = | 75100.0 | nM | 4.12 |
| CHEMBL178681 | — | IC50 | = | 77500.0 | nM | 4.11 |
| CHEMBL361364 | — | IC50 | = | 79200.0 | nM | 4.10 |
| CHEMBL179704 | — | IC50 | = | 80900.0 | nM | 4.09 |
| CHEMBL368883 | — | IC50 | = | 152000.0 | nM | - |
| CHEMBL179399 | — | IC50 | = | 262000.0 | nM | - |
| CHEMBL178711 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL178330 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL178547 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL178516 | — | IC50 | = | 139900.0 | nM | - |
| CHEMBL179005 | — | IC50 | = | 114000.0 | nM | - |
| CHEMBL178781 | — | IC50 | = | 109000.0 | nM | - |
| CHEMBL360999 | — | IC50 | = | 262000.0 | nM | - |