Compound Detail
CHEMBL48137
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Basic Information
| ChEMBL ID | CHEMBL48137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSMNQUURWIAXAA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
0.36
ALogP
4
HBA
1
HBD
52.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Kd 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.1 | 6.1 | 794.3 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 14.0 | nM | 7.85 | Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139479 |
| Adrenergic receptor alpha-2 | Kd | = | 794.33 | nM | 6.1 | Presynaptic antagonistic activity against alpha-2 adrenergic receptor from rat, ... | 6139479 |
| Alpha-1A adrenergic receptor | Ki | = | 2000.0 | nM | 5.7 | Binding activity against alpha-1 adrenergic receptor from calf cerebral cortex, ... | 6139479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6139479 | 10.1021/jm00366a007 | Adrenergic receptor alpha-2 | 2 |
| 6139479 | 10.1021/jm00366a007 | Alpha-2A adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Alpha-1A adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Cerebral cortex alpha adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine