Assay Detail
ADMET
CHEMBL942995
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Inhibition of human CYP3A4 expressed in Escherichia coli assessed as inhibition of nifedipine oxidation
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
Cytochrome P3A4 inhibitors and other constituents of Fibraurea tinctoria.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 13 | 5.73 | 6.68 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 6.68 |
| CHEMBL274189 | PALMATINE CHLORIDE | — | 1 | 6.05 |
| CHEMBL251055 | JATRORRHIZINE | — | 1 | 5.68 |
| CHEMBL400345 | COLUMBAMINE | — | 1 | 4.51 |
| CHEMBL251229 | STEPHARANINE | — | 1 | - |
| CHEMBL398472 | FIBRAURETIN A | — | 1 | - |
| CHEMBL255034 | MAKISTERONE A | — | 1 | - |
| CHEMBL399973 | FIBLEUCINOSIDE | — | 1 | - |
| CHEMBL399731 | FIBRAURINOSIDE | — | 1 | - |
| CHEMBL254592 | FIBRAURECDYSIDE A | — | 1 | - |
| CHEMBL251672 | — | — | 1 | - |
| CHEMBL249243 | EPI-FIBRAURETINOSIDE A | — | 1 | - |
| CHEMBL400494 | FIBRAURETINOSIDE A | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL274189 | PALMATINE CHLORIDE | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL251055 | JATRORRHIZINE | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL400345 | COLUMBAMINE | IC50 | = | 30600.0 | nM | 4.51 |
| CHEMBL251229 | STEPHARANINE | IC50 | > | 2500.0 | nM | - |
| CHEMBL398472 | FIBRAURETIN A | IC50 | > | 100000.0 | nM | - |
| CHEMBL255034 | MAKISTERONE A | IC50 | > | 100000.0 | nM | - |
| CHEMBL399973 | FIBLEUCINOSIDE | IC50 | > | 100000.0 | nM | - |
| CHEMBL399731 | FIBRAURINOSIDE | IC50 | > | 100000.0 | nM | - |
| CHEMBL254592 | FIBRAURECDYSIDE A | IC50 | > | 100000.0 | nM | - |
| CHEMBL251672 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL249243 | EPI-FIBRAURETINOSIDE A | IC50 | > | 100000.0 | nM | - |
| CHEMBL400494 | FIBRAURETINOSIDE A | IC50 | > | 100000.0 | nM | - |