Assay Detail
ADMET
CHEMBL898579
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Inhibition of CYP3A4
28
Total Activities
26
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Publication
Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 28 | 5.98 | 6.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL393363 | — | — | 1 | 6.92 |
| CHEMBL240598 | — | — | 1 | 6.80 |
| CHEMBL241241 | — | — | 1 | 6.57 |
| CHEMBL239497 | — | — | 1 | 6.34 |
| CHEMBL239085 | — | — | 1 | 6.28 |
| CHEMBL239074 | — | — | 1 | 6.23 |
| CHEMBL241032 | — | — | 1 | 6.17 |
| CHEMBL398584 | — | — | 2 | 6.07 |
| CHEMBL238866 | — | — | 1 | 6.04 |
| CHEMBL393109 | — | — | 1 | 5.97 |
| CHEMBL239496 | — | — | 2 | 5.94 |
| CHEMBL240391 | — | — | 1 | 5.78 |
| CHEMBL241663 | — | — | 1 | 5.77 |
| CHEMBL239078 | — | — | 1 | 5.72 |
| CHEMBL240813 | — | — | 1 | 5.66 |
| CHEMBL239495 | — | — | 1 | 5.52 |
| CHEMBL429459 | — | — | 1 | 5.32 |
| CHEMBL393218 | — | — | 1 | 4.52 |
| CHEMBL391463 | — | — | 1 | - |
| CHEMBL398811 | — | — | 1 | - |
| CHEMBL429642 | — | — | 1 | - |
| CHEMBL400431 | — | — | 1 | - |
| CHEMBL398387 | — | — | 1 | - |
| CHEMBL240566 | — | — | 1 | - |
| CHEMBL394016 | — | — | 1 | - |
| CHEMBL240355 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL393363 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL240598 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL241241 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL239497 | — | IC50 | = | 460.0 | nM | 6.34 |
| CHEMBL239085 | — | IC50 | = | 530.0 | nM | 6.28 |
| CHEMBL239074 | — | IC50 | = | 590.0 | nM | 6.23 |
| CHEMBL241032 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL398584 | — | IC50 | = | 860.0 | nM | 6.07 |
| CHEMBL398584 | — | IC50 | = | 860.0 | nM | 6.07 |
| CHEMBL238866 | — | IC50 | = | 920.0 | nM | 6.04 |
| CHEMBL393109 | — | IC50 | = | 1060.0 | nM | 5.97 |
| CHEMBL239496 | — | IC50 | = | 1140.0 | nM | 5.94 |
| CHEMBL239496 | — | IC50 | = | 1140.0 | nM | 5.94 |
| CHEMBL240391 | — | IC50 | = | 1670.0 | nM | 5.78 |
| CHEMBL241663 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL239078 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL240813 | — | IC50 | = | 2180.0 | nM | 5.66 |
| CHEMBL239495 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL429459 | — | IC50 | = | 4790.0 | nM | 5.32 |
| CHEMBL393218 | — | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL391463 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL398811 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL429642 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL400431 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL398387 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL240566 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL394016 | — | IC50 | > | 22000.0 | nM | - |
| CHEMBL240355 | — | IC50 | > | 30000.0 | nM | - |