Compound Detail
CHEMBL2448027
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Basic Information
| ChEMBL ID | CHEMBL2448027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEGVPTCTEUGWFV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL154141 |
| Active Moiety | CHEMBL154141 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.8
MW (Da)
1.70
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.8 | 7.725 | 15.8 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.68 | 5.68 | 2089.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 15.85 | nM | 7.8 | Binding affinity to the alpha-2 adrenergic receptor of rat cerebral cortex assay... | 2153820 |
| Adrenergic receptor alpha-2 | Ki | = | 22.39 | nM | 7.65 | Binding affinity to alpha-2 adrenergic receptor of rat cerebral cortex assayed u... | 2153820 |
| Adrenergic receptor alpha-1 | Ki | = | 2089.3 | nM | 5.68 | Binding affinity determined to alpha-1 adrenergic receptor of rat cerebral corte... | 2153820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153820 | 10.1021/jm00164a021 | Adrenergic receptor alpha-2 | 3 |
| 2153820 | 10.1021/jm00164a021 | Adrenergic receptor alpha-1 | 1 |
| 2153820 | 10.1021/jm00164a021 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine