Compound Detail
CHEMBL31458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL31458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDAUSHHYPMFDBA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
0.70
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 200.0 | nM | 6.7 | Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscin... | 2864446 |
| Adrenergic receptor alpha-1 | Ki | = | 5000.0 | nM | 5.3 | Binding affinity against alpha-1 adrenergic receptor in rat using [3H]prazosin a... | 2864446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2864446 | 10.1021/jm00148a005 | Adrenergic receptor alpha-1 | 1 |
| 2864446 | 10.1021/jm00148a005 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine