Compound Detail
CHEMBL31598
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Basic Information
| ChEMBL ID | CHEMBL31598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDYLVSPICUBIRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
0.50
ALogP
5
HBA
2
HBD
67.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 5.7 | 5.7 | 1995.3 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 1995.26 | nM | 5.7 | In vitro ability to block beta-2 adrenergic receptor in guinea pig trachea. | 6130153 |
| Beta-1 adrenergic receptor | Kd | = | 3162.28 | nM | 5.5 | In vitro ability to block beta-1 adrenergic receptor in guinea pig right atria. | 6130153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6130153 | 10.1021/jm00354a002 | Beta-1 adrenergic receptor | 1 |
| 6130153 | 10.1021/jm00354a002 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine