Compound Detail
CHEMBL105487
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Basic Information
| ChEMBL ID | CHEMBL105487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RADFITYEEZIPNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
3.62
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.91 | 6.91 | 122.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.76 | 5.76 | 1734.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 122.0 | nM | 6.91 | Alpha-2 adrenergic receptor binding affinity was tested against membrane prepara... | 8709134 |
| Adrenergic receptor alpha-1 | Ki | = | 1734.0 | nM | 5.76 | Alpha-1 adrenergic receptor binding affinity in rat brain membranes | 8709134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709134 | 10.1021/jm9506074 | Adrenergic receptor alpha-1 | 1 |
| 8709134 | 10.1021/jm9506074 | Adrenergic receptor alpha-2 | 1 |
| 8709134 | 10.1021/jm9506074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine