Compound Detail
CHEMBL95457
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Basic Information
| ChEMBL ID | CHEMBL95457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHDUUWAMFCDNEW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.47
ALogP
7
HBA
2
HBD
77.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL2289 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | IC50 | = | 270.0 | nM | 6.57 | Tested for beta-receptor binding inhibition from canine ventricular tissue, usin... | 1976812 |
| Beta-1 adrenergic receptor | IC50 | = | 270.0 | nM | 6.57 | Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized d... | 1976812 |
| Beta-2 adrenergic receptor | IC50 | = | 4500.0 | nM | 5.35 | Beta2-receptor selectivity in canine lung tissue in anesthetized dogs | 1976812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1976812 | 10.1021/jm00172a033 | Canis familiaris | 2 |
| 1976812 | 10.1021/jm00172a033 | Adrenergic receptor beta | 1 |
| 1976812 | 10.1021/jm00172a033 | Beta-1 adrenergic receptor | 1 |
| 1976812 | 10.1021/jm00172a033 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine