Assay Detail
ADMET
CHEMBL829413
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Inhibitory concentration against human cytochrome P-450 2C9
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 | 4.50 | 6.15 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL178711 | — | — | 1 | 6.15 |
| CHEMBL179529 | — | — | 1 | 5.68 |
| CHEMBL359657 | — | — | 1 | 5.05 |
| CHEMBL178090 | — | — | 1 | 4.93 |
| CHEMBL178780 | — | — | 1 | 4.57 |
| CHEMBL178516 | — | — | 1 | 4.38 |
| CHEMBL179398 | — | — | 1 | 4.26 |
| CHEMBL361364 | — | — | 1 | 4.12 |
| CHEMBL360999 | — | — | 1 | 4.10 |
| CHEMBL179399 | — | — | 1 | 4.10 |
| CHEMBL178547 | — | — | 1 | 4.06 |
| CHEMBL179669 | — | — | 1 | 4.03 |
| CHEMBL361153 | — | — | 1 | 4.02 |
| CHEMBL362702 | — | — | 1 | 4.01 |
| CHEMBL179618 | — | — | 1 | 4.00 |
| CHEMBL178681 | — | — | 1 | - |
| CHEMBL1795039 | — | — | 1 | - |
| CHEMBL368883 | — | — | 1 | - |
| CHEMBL178330 | — | — | 1 | - |
| CHEMBL178534 | — | — | 1 | - |
| CHEMBL179763 | — | — | 1 | - |
| CHEMBL425519 | — | — | 1 | - |
| CHEMBL179704 | — | — | 1 | - |
| CHEMBL179005 | — | — | 1 | - |
| CHEMBL178781 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL178711 | — | IC50 | = | 710.0 | nM | 6.15 |
| CHEMBL179529 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL359657 | — | IC50 | = | 8900.0 | nM | 5.05 |
| CHEMBL178090 | — | IC50 | = | 11700.0 | nM | 4.93 |
| CHEMBL178780 | — | IC50 | = | 26900.0 | nM | 4.57 |
| CHEMBL178516 | — | IC50 | = | 41800.0 | nM | 4.38 |
| CHEMBL179398 | — | IC50 | = | 55200.0 | nM | 4.26 |
| CHEMBL361364 | — | IC50 | = | 75200.0 | nM | 4.12 |
| CHEMBL360999 | — | IC50 | = | 79500.0 | nM | 4.10 |
| CHEMBL179399 | — | IC50 | = | 79500.0 | nM | 4.10 |
| CHEMBL178547 | — | IC50 | = | 86200.0 | nM | 4.06 |
| CHEMBL179669 | — | IC50 | = | 93100.0 | nM | 4.03 |
| CHEMBL361153 | — | IC50 | = | 96300.0 | nM | 4.02 |
| CHEMBL362702 | — | IC50 | = | 98200.0 | nM | 4.01 |
| CHEMBL179618 | — | IC50 | = | 99200.0 | nM | 4.00 |
| CHEMBL178681 | — | IC50 | = | 208000.0 | nM | - |
| CHEMBL1795039 | — | IC50 | = | 141000.0 | nM | - |
| CHEMBL368883 | — | IC50 | > | 300000.0 | nM | - |
| CHEMBL178330 | — | IC50 | = | 398000.0 | nM | - |
| CHEMBL178534 | — | IC50 | = | 223000.0 | nM | - |
| CHEMBL179763 | — | IC50 | > | 300000.0 | nM | - |
| CHEMBL425519 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL179704 | — | IC50 | = | 123000.0 | nM | - |
| CHEMBL179005 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL178781 | — | IC50 | > | 300000.0 | nM | - |