Compound Detail
CHEMBL355968
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Basic Information
| ChEMBL ID | CHEMBL355968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRWMUWUGGNFFIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.61
ALogP
8
HBA
3
HBD
124.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.54 | 7.54 | 28.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 5.04 | 5.04 | 9120.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 28.84 | nM | 7.54 | Antagonist activity for Alpha-1 adrenergic receptor against norepinephrine in ra... | 2562855 |
| Adrenergic receptor alpha-2 | Kd | = | 9120.11 | nM | 5.04 | Antagonist activity for Alpha-2 adrenergic receptor against clonidine in rat vas... | 2562855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2562855 | 10.1021/jm00121a011 | Adrenergic receptor alpha-1 | 1 |
| 2562855 | 10.1021/jm00121a011 | Adrenergic receptor alpha-2 | 1 |
| 2562855 | 10.1021/jm00121a011 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine