Compound Detail
CHEMBL5566587
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Basic Information
| ChEMBL ID | CHEMBL5566587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABJCLTVEKQZPAA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069914 |
| Active Moiety | CHEMBL6069914 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.57
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 10.33 | 10.33 | 0.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 8.65 | 8.65 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.04677 | nM | 10.33 | Agonist activity at human beta2 adrenoceptor expressed in HEK293 cells assessed ... | 38347756 |
| Beta-1 adrenergic receptor | EC50 | = | 2.239 | nM | 8.65 | 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