Compound Detail
CHEMBL66702
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL66702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCJOWWMUIMVZHV-ZIAGYGMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.71
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 7.47 | 7.47 | 33.9 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.09 | 7.09 | 81.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 33.88 | nM | 7.47 | Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, con... | 2903245 |
| Beta-1 adrenergic receptor | Kd | = | 81.28 | nM | 7.09 | Beta-1 adrenergic receptor activation measured by isoprenaline-induced positive ... | 2903245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903245 | 10.1021/jm00119a011 | Beta-1 adrenergic receptor | 1 |
| 2903245 | 10.1021/jm00119a011 | Beta-2 adrenergic receptor | 1 |
| 2903245 | 10.1021/jm00119a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine