Assay Detail
ADMET
CHEMBL3815853
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Cell Type | CHO-K1 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
A combined ligand- and structure-based approach for the identification of rilmenidine-derived compounds which synergize the antitumor effects of doxorubicin.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 17 | 5.83 | 8.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL353972 | ATIPAMEZOLE | 2.0 | 1 | 8.92 |
| CHEMBL778 | DEXMEDETOMIDINE | 4.0 | 1 | 8.60 |
| CHEMBL57895 | EFAROXAN | 2.0 | 1 | 8.36 |
| CHEMBL134 | CLONIDINE | 4.0 | 1 | 7.55 |
| CHEMBL679 | EPINEPHRINE | 4.0 | 1 | 6.80 |
| CHEMBL289480 | RILMENIDINE | 4.0 | 1 | 6.52 |
| CHEMBL3593723 | — | — | 1 | 5.92 |
| CHEMBL3593725 | — | — | 1 | 4.96 |
| CHEMBL3814276 | — | — | 1 | 4.57 |
| CHEMBL3814220 | — | — | 1 | 4.39 |
| CHEMBL3814626 | — | — | 1 | 4.28 |
| CHEMBL3814535 | — | — | 1 | 4.24 |
| CHEMBL3814593 | — | — | 1 | 4.21 |
| CHEMBL3814521 | — | — | 1 | 4.10 |
| CHEMBL3814259 | — | — | 1 | 4.00 |
| CHEMBL3815157 | — | — | 1 | - |
| CHEMBL3813724 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL353972 | ATIPAMEZOLE | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL778 | DEXMEDETOMIDINE | Ki | = | 2.5 | nM | 8.60 |
| CHEMBL57895 | EFAROXAN | Ki | = | 4.4 | nM | 8.36 |
| CHEMBL134 | CLONIDINE | Ki | = | 28.0 | nM | 7.55 |
| CHEMBL679 | EPINEPHRINE | Ki | = | 160.0 | nM | 6.80 |
| CHEMBL289480 | RILMENIDINE | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL3593723 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL3593725 | — | Ki | = | 11000.0 | nM | 4.96 |
| CHEMBL3814276 | — | Ki | = | 27000.0 | nM | 4.57 |
| CHEMBL3814220 | — | Ki | = | 41000.0 | nM | 4.39 |
| CHEMBL3814626 | — | Ki | = | 52000.0 | nM | 4.28 |
| CHEMBL3814535 | — | Ki | = | 58000.0 | nM | 4.24 |
| CHEMBL3814593 | — | Ki | = | 62000.0 | nM | 4.21 |
| CHEMBL3814521 | — | Ki | = | 80000.0 | nM | 4.10 |
| CHEMBL3814259 | — | Ki | = | 99000.0 | nM | 4.00 |
| CHEMBL3815157 | — | Ki | = | 110000.0 | nM | - |
| CHEMBL3813724 | — | Ki | = | 110000.0 | nM | - |