Compound Detail
CHEMBL3247309
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Basic Information
| ChEMBL ID | CHEMBL3247309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLPBNWPRXQKSNJ-WAYWQWQTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
2.47
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL3754 | Kd | 7.7 | 7.7 | 19.9 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Kd | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 19.95 | nM | 7.7 | Antagonist activity at beta2 adrenergic receptor in isolated rat stomach fundus | 31488 |
| Beta-1 adrenergic receptor | Kd | = | 199.53 | nM | 6.7 | Antagonist activity at beta1 adrenergic receptor in isolated rat atria | 31488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31488 | 10.1021/jm00207a025 | Beta-1 adrenergic receptor | 1 |
| 31488 | 10.1021/jm00207a025 | Beta-2 adrenergic receptor | 1 |
| 31488 | 10.1021/jm00207a025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine