Compound Detail
CHEMBL542544
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Basic Information
| ChEMBL ID | CHEMBL542544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSZIZMYWSQHYSZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191442 |
| Active Moiety | CHEMBL1191442 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
1.68
ALogP
8
HBA
2
HBD
105.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | IC50 | = | 21000.0 | nM | 4.68 | In vitro Beta-1 adrenergic receptor affinity in partially purified membrane frac... | 2319556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2319556 | 10.1021/jm00166a002 | Canis familiaris | 1 |
| 2319556 | 10.1021/jm00166a002 | Beta-1 adrenergic receptor | 1 |
| 2319556 | 10.1021/jm00166a002 | Beta-2 adrenergic receptor | 1 |
| 2319556 | 10.1021/jm00166a002 | Mustela putorius furo | 1 |
Data from ChEMBL 36 via Core Engine