Compound Detail
CHEMBL5532178
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 | CHEMBL5532178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWXBVIXAWDBXOM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069823 |
| Active Moiety | CHEMBL6069823 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
0.76
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 10.5 | 10.5 | 0.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.84 | 7.84 | 14.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.03162 | nM | 10.5 | Agonist activity at human beta2 adrenoceptor expressed in HEK293 cells assessed ... | 38347756 |
| Beta-1 adrenergic receptor | EC50 | = | 14.45 | nM | 7.84 | Agonist activity at human beta1 adrenoceptor expressed in HEK293 cells assessed ... | 38347756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Trachea | 2 |
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Beta-2 adrenergic receptor | 1 |
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Beta-1 adrenergic receptor | 1 |
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine