Compound Detail
CHEMBL5574906
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 | CHEMBL5574906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APLXAMNWJJROOH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6070309 |
| Active Moiety | CHEMBL6070309 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.00
ALogP
8
HBA
4
HBD
118.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 10.27 | 10.27 | 0.1 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.0537 | nM | 10.27 | Agonist activity at human beta2 adrenoceptor expressed in HEK293 cells assessed ... | 38347756 |
| Beta-1 adrenergic receptor | EC50 | = | 1.585 | nM | 8.8 | 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 | 4 |
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Beta-2 adrenergic receptor | 2 |
| 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