Compound Detail
CHEMBL162513
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Basic Information
| ChEMBL ID | CHEMBL162513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIUNEOHGDSNUIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
1.27
ALogP
5
HBA
3
HBD
90.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL2289 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | IC50 | = | 160.0 | nM | 6.8 | Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalpreno... | 1347318 |
| Beta-2 adrenergic receptor | IC50 | = | 3400.0 | nM | 5.47 | Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalp... | 1347318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1347318 | 10.1021/jm00082a016 | Canis familiaris | 9 |
| 1347318 | 10.1021/jm00082a016 | Beta-1 adrenergic receptor | 1 |
| 1347318 | 10.1021/jm00082a016 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine