Compound Detail
CHEMBL31583
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Basic Information
| ChEMBL ID | CHEMBL31583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUDBSYZJQOLZKA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
2.75
ALogP
5
HBA
2
HBD
67.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 6.1 | 6.1 | 794.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 794.33 | nM | 6.1 | Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparatio... | 6130154 |
| Beta-2 adrenergic receptor | Kd | = | 15848.93 | nM | 4.8 | Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation | 6130154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6130154 | 10.1021/jm00354a003 | Beta-1 adrenergic receptor | 2 |
| 6130154 | 10.1021/jm00354a003 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine