Compound Detail
CHEMBL266548
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Basic Information
| ChEMBL ID | CHEMBL266548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGSNDMQWSXTJNN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
0.93
ALogP
6
HBA
2
HBD
77.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | Kd | 6.9 | 6.9 | 125.9 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 6.9 | 6.9 | 125.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4833 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | Kd | = | 125.89 | nM | 6.9 | In Vitro inhibition of the beta adrenergic receptor in guinea pig atria | 6146718 |
| Beta-1 adrenergic receptor | Kd | = | 125.89 | nM | 6.9 | Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig at... | 2882026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6146718 | 10.1021/jm00374a013 | Canis familiaris | 2 |
| 6146718 | 10.1021/jm00374a013 | Adrenergic receptor beta | 1 |
| 2882026 | 10.1021/jm00387a006 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine