Compound Detail
CHEMBL43405
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Basic Information
| ChEMBL ID | CHEMBL43405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYCXZGUVPDRYLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
3.20
ALogP
5
HBA
2
HBD
60.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 6.31 | nM | 8.2 | Activity at beta-1 adrenergic receptor | 1361581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6138435 | 10.1021/jm00365a005 | Beta-1 adrenergic receptor | 1 |
| 6138435 | 10.1021/jm00365a005 | Beta-2 adrenergic receptor | 1 |
| 6138435 | 10.1021/jm00365a005 | Adrenergic receptor beta | 1 |
| 1361581 | 10.1021/jm00103a004 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine