Compound Detail
CHEMBL51963
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Basic Information
| ChEMBL ID | CHEMBL51963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEKVIIOJEYSVAB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
1.99
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 1.8 | nM | 8.74 | Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]praz... | 1648138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1648138 | 10.1021/jm00110a014 | Alpha-1A adrenergic receptor | 1 |
| 1648138 | 10.1021/jm00110a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 1648138 | 10.1021/jm00110a014 | Adrenergic receptor alpha-2 | 1 |
| 1648138 | 10.1021/jm00110a014 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine