Compound Detail
CHEMBL165462
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Basic Information
| ChEMBL ID | CHEMBL165462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONEYFZXGNFNRJH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
176.3
MW (Da)
1.40
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | IC50 | = | 38000.0 | nM | 4.42 | Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalpreno... | 1347318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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