Compound Detail
CHEMBL280810
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Basic Information
| ChEMBL ID | CHEMBL280810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRVXUKDIAQCJTC-NTDBWNAOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
3.35
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.61 | 6.4 | 245.5 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 4.54 | 4.54 | 28840.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 245.47 | nM | 6.61 | Antagonistic activity against presynaptic alpha-2 adrenergic receptor in isolate... | 2886664 |
| Adrenergic receptor alpha-2 | Kd | = | 645.65 | nM | 6.19 | Antagonistic activity against adrenergic alpha-2 receptor in longitudinal muscle... | 2886664 |
| Adrenergic receptor alpha-1 | Kd | = | 28840.32 | nM | 4.54 | Antagonistic activity against postsynaptic Alpha-1 adrenergic receptor in isolat... | 2886664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha-2 | 2 |
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha-1 | 1 |
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine