Compound Detail
CHEMBL31638
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Basic Information
| ChEMBL ID | CHEMBL31638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSZPFAQPQNXBLL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.38
ALogP
7
HBA
2
HBD
86.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 6.5 | 6.5 | 316.2 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 316.23 | nM | 6.5 | Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparatio... | 6130154 |
| Beta-2 adrenergic receptor | Kd | = | 6309.57 | nM | 5.2 | 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 | 3 |
| 6130154 | 10.1021/jm00354a003 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine