Compound Detail
CHEMBL2448029
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Basic Information
| ChEMBL ID | CHEMBL2448029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUINIQFFKHVIPW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL157801 |
| Active Moiety | CHEMBL157801 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
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 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.23 | 7.45 | 5.9 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 5.888 | nM | 8.23 | Binding affinity was determined against alpha-2 adrenergic receptor of rat cereb... | 2153820 |
| Adrenergic receptor alpha-2 | Ki | = | 213.8 | nM | 6.67 | Binding affinity was determined against alpha-2 adrenergic receptor of rat cereb... | 2153820 |
| Adrenergic receptor alpha-1 | Ki | = | 1584.89 | nM | 5.8 | 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 | 4 |
| 2153820 | 10.1021/jm00164a021 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine