Compound Detail
CHEMBL51131
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Basic Information
| ChEMBL ID | CHEMBL51131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCBQXGCJOIWYPU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
3.13
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.74
Kd 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 8.74 | 8.495 | 1.8 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 1.8 | nM | 8.74 | Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139481 |
| Alpha-2A adrenergic receptor | Ki | = | 5.6 | nM | 8.25 | Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139481 |
| Adrenergic receptor alpha-1 | Kd | = | 25.12 | nM | 7.6 | Methoxamine antagonistic activity against alpha-1 adrenergic receptor in isolate... | 6139481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6139481 | 10.1021/jm00366a022 | Alpha-2A adrenergic receptor | 2 |
| 6139481 | 10.1021/jm00366a022 | Adrenergic receptor alpha-2 | 2 |
| 6139481 | 10.1021/jm00366a022 | Adrenergic receptor alpha-1 | 2 |
Data from ChEMBL 36 via Core Engine