Compound Detail
CHEMBL32058
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 | CHEMBL32058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODOKYHQNCVNTBN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.9
MW (Da)
3.26
ALogP
6
HBA
1
HBD
44.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.04 | 6.04 | 910.0 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 180.0 | nM | 6.75 | In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding ... | 3016265 |
| Adrenergic receptor alpha-2 | Ki | = | 910.0 | nM | 6.04 | In vitro binding affinity was measured as the inhibition of [3H]clonidine bindin... | 3016265 |
| Dopamine receptor | Ki | = | 1400.0 | nM | 5.85 | In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H... | 3016265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3016265 | 10.1021/jm00158a013 | Dopamine receptor | 1 |
| 3016265 | 10.1021/jm00158a013 | Adrenergic receptor alpha-1 | 1 |
| 3016265 | 10.1021/jm00158a013 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine