Compound Detail
CHEMBL449651
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Basic Information
| ChEMBL ID | CHEMBL449651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAKLIMSWIIIXQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
0.93
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 4.94 | 4.94 | 11481.5 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 4.54 | 4.54 | 28840.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 11481.54 | nM | 4.94 | Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig at... | 2882026 |
| Beta-2 adrenergic receptor | Kd | = | 28840.32 | nM | 4.54 | Antagonist activity against beta-2 adrenergic receptor in isolated guinea pig tr... | 2882026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2882026 | 10.1021/jm00387a006 | Beta-1 adrenergic receptor | 2 |
| 2882026 | 10.1021/jm00387a006 | Beta-2 adrenergic receptor | 2 |
| 2882026 | 10.1021/jm00387a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine