Compound Detail
CHEMBL4080868
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Basic Information
| ChEMBL ID | CHEMBL4080868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNJJOJYVEFHKIU-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
2.48
ALogP
6
HBA
4
HBD
116.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.37 | 7.37 | 43.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 43.0 | nM | 7.37 | Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO... | 28355078 |
| Alpha-1A adrenergic receptor | EC50 | = | 1250.0 | nM | 5.9 | Agonist activity at recombinant human alpha1A adrenergic receptor expressed in H... | 28355078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Alpha-1A adrenergic receptor | 2 |
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Beta-3 adrenergic receptor | 2 |
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine