Assay Detail
ADMET
CHEMBL910619
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human CYP2C19
29
Total Activities
29
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
Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 29 | 4.94 | 6.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL214784 | — | — | 1 | 6.70 |
| CHEMBL215174 | — | — | 1 | 6.16 |
| CHEMBL215134 | — | — | 1 | 6.05 |
| CHEMBL359657 | — | — | 1 | 6.00 |
| CHEMBL386124 | — | — | 1 | 5.41 |
| CHEMBL214990 | — | — | 1 | 5.16 |
| CHEMBL179669 | — | — | 1 | 5.00 |
| CHEMBL178090 | — | — | 1 | 4.96 |
| CHEMBL179704 | — | — | 1 | 4.90 |
| CHEMBL360541 | — | — | 1 | 4.89 |
| CHEMBL178938 | — | — | 1 | 4.82 |
| CHEMBL149808 | — | — | 1 | 4.79 |
| CHEMBL179621 | — | — | 1 | 4.68 |
| CHEMBL178516 | — | — | 1 | 4.57 |
| CHEMBL217125 | — | — | 1 | 4.56 |
| CHEMBL369285 | — | — | 1 | 4.52 |
| CHEMBL214859 | — | — | 1 | 4.39 |
| CHEMBL385008 | — | — | 1 | 4.38 |
| CHEMBL361969 | — | — | 1 | 4.28 |
| CHEMBL361153 | — | — | 1 | 4.25 |
| CHEMBL360999 | — | — | 1 | 4.21 |
| CHEMBL360998 | — | — | 1 | 4.10 |
| CHEMBL368883 | — | — | 1 | - |
| CHEMBL215183 | — | — | 1 | - |
| CHEMBL386250 | — | — | 1 | - |
| CHEMBL180270 | — | — | 1 | - |
| CHEMBL410355 | — | — | 1 | - |
| CHEMBL218397 | — | — | 1 | - |
| CHEMBL385023 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL214784 | — | Ki | = | 200.0 | nM | 6.70 |
| CHEMBL215174 | — | Ki | = | 700.0 | nM | 6.16 |
| CHEMBL215134 | — | Ki | = | 900.0 | nM | 6.05 |
| CHEMBL359657 | — | Ki | = | 1000.0 | nM | 6.00 |
| CHEMBL386124 | — | Ki | = | 3900.0 | nM | 5.41 |
| CHEMBL214990 | — | Ki | = | 7000.0 | nM | 5.16 |
| CHEMBL179669 | — | Ki | = | 10100.0 | nM | 5.00 |
| CHEMBL178090 | — | Ki | = | 11000.0 | nM | 4.96 |
| CHEMBL179704 | — | Ki | = | 12500.0 | nM | 4.90 |
| CHEMBL360541 | — | Ki | = | 12900.0 | nM | 4.89 |
| CHEMBL178938 | — | Ki | = | 15300.0 | nM | 4.82 |
| CHEMBL149808 | — | Ki | = | 16400.0 | nM | 4.79 |
| CHEMBL179621 | — | Ki | = | 21000.0 | nM | 4.68 |
| CHEMBL178516 | — | Ki | = | 26800.0 | nM | 4.57 |
| CHEMBL217125 | — | Ki | = | 27500.0 | nM | 4.56 |
| CHEMBL369285 | — | Ki | = | 29900.0 | nM | 4.52 |
| CHEMBL214859 | — | Ki | = | 41000.0 | nM | 4.39 |
| CHEMBL385008 | — | Ki | = | 41400.0 | nM | 4.38 |
| CHEMBL361969 | — | Ki | = | 53000.0 | nM | 4.28 |
| CHEMBL361153 | — | Ki | = | 55600.0 | nM | 4.25 |
| CHEMBL360999 | — | Ki | = | 61000.0 | nM | 4.21 |
| CHEMBL360998 | — | Ki | = | 79000.0 | nM | 4.10 |
| CHEMBL368883 | — | Ki | > | 300000.0 | nM | - |
| CHEMBL215183 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL386250 | — | Ki | = | 107000.0 | nM | - |
| CHEMBL180270 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL410355 | — | Ki | > | 400000.0 | nM | - |
| CHEMBL218397 | — | Ki | = | 109000.0 | nM | - |
| CHEMBL385023 | — | Ki | > | 400000.0 | nM | - |