Compound Detail
CHEMBL31957
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Basic Information
| ChEMBL ID | CHEMBL31957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXXYWRIQRRWSNG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.8
MW (Da)
2.01
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 16.0 | nM | 7.8 | In vitro binding affinity was measured as the inhibition of [3H]clonidine bindin... | 3016265 |
| Adrenergic receptor alpha-1 | Ki | = | 200.0 | nM | 6.7 | In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding ... | 3016265 |
| Dopamine receptor | Ki | = | 880.0 | nM | 6.06 | 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