Assay Detail
ADMET
CHEMBL1106979
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Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay
29
Total Activities
29
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Novel benzothiophene H1-antihistamines for the treatment of insomnia.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 28 | 5.64 | 8.70 |
| Ki | 1 | 6.07 | 6.07 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1091778 | — | — | 1 | 8.70 |
| CHEMBL1093044 | — | — | 1 | 8.01 |
| CHEMBL1091790 | — | — | 1 | 6.07 |
| CHEMBL1092494 | — | — | 1 | 5.82 |
| CHEMBL1091774 | — | — | 1 | 5.57 |
| CHEMBL1090433 | — | — | 1 | 5.48 |
| CHEMBL1092377 | — | — | 1 | 5.40 |
| CHEMBL1091777 | — | — | 1 | 5.28 |
| CHEMBL1092126 | — | — | 1 | 5.26 |
| CHEMBL1090432 | — | — | 1 | 5.16 |
| CHEMBL1091776 | — | — | 1 | 5.14 |
| CHEMBL1092765 | — | — | 1 | 5.12 |
| CHEMBL1091069 | — | — | 1 | 5.02 |
| CHEMBL1093294 | — | — | 1 | 5.02 |
| CHEMBL1092766 | — | — | 1 | 5.02 |
| CHEMBL564144 | — | — | 1 | 4.55 |
| CHEMBL1091793 | — | — | 1 | - |
| CHEMBL1092495 | — | — | 1 | - |
| CHEMBL1092496 | — | — | 1 | - |
| CHEMBL1092812 | — | — | 1 | - |
| CHEMBL1092813 | — | — | 1 | - |
| CHEMBL1091792 | — | — | 1 | - |
| CHEMBL1091791 | — | — | 1 | - |
| CHEMBL1091775 | — | — | 1 | - |
| CHEMBL1092767 | — | — | 1 | - |
| CHEMBL1091782 | — | — | 1 | - |
| CHEMBL1092118 | — | — | 1 | - |
| CHEMBL1093607 | — | — | 1 | - |
| CHEMBL1093058 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1091778 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL1093044 | — | IC50 | = | 9.8 | nM | 8.01 |
| CHEMBL1091790 | — | Ki | = | 850.0 | nM | 6.07 |
| CHEMBL1092494 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL1091774 | — | IC50 | = | 2700.0 | nM | 5.57 |
| CHEMBL1090433 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL1092377 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL1091777 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL1092126 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL1090432 | — | IC50 | = | 6900.0 | nM | 5.16 |
| CHEMBL1091776 | — | IC50 | = | 7300.0 | nM | 5.14 |
| CHEMBL1092765 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL1091069 | — | IC50 | = | 9500.0 | nM | 5.02 |
| CHEMBL1093294 | — | IC50 | = | 9600.0 | nM | 5.02 |
| CHEMBL1092766 | — | IC50 | = | 9500.0 | nM | 5.02 |
| CHEMBL564144 | — | IC50 | = | 28000.0 | nM | 4.55 |
| CHEMBL1091793 | — | IC50 | - | — | - | |
| CHEMBL1092495 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1092496 | — | IC50 | - | — | - | |
| CHEMBL1092812 | — | IC50 | - | — | - | |
| CHEMBL1092813 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1091792 | — | IC50 | - | — | - | |
| CHEMBL1091791 | — | IC50 | - | — | - | |
| CHEMBL1091775 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1092767 | — | IC50 | = | 856000.0 | nM | - |
| CHEMBL1091782 | — | IC50 | = | 4926000.0 | nM | - |
| CHEMBL1092118 | — | IC50 | > | 10000000.0 | nM | - |
| CHEMBL1093607 | — | IC50 | = | 8012000.0 | nM | - |
| CHEMBL1093058 | — | IC50 | > | 10000000.0 | nM | - |