Compound Detail
CHEMBL1192069
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Basic Information
| ChEMBL ID | CHEMBL1192069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZWUQVSQIFFFKY-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
1.65
ALogP
8
HBA
3
HBD
114.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 4.43 | 4.43 | 37500.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL2289 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | IC50 | = | 37500.0 | nM | 4.43 | Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in an... | 1976812 |
| Beta-2 adrenergic receptor | IC50 | = | 41000.0 | nM | 4.39 | 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 | Beta-1 adrenergic receptor | 1 |
| 1976812 | 10.1021/jm00172a033 | Beta-2 adrenergic receptor | 1 |
| 1976812 | 10.1021/jm00172a033 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine