Compound Detail
CHEMBL107922
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 | CHEMBL107922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLIJZOIPUXTBOX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.36
ALogP
5
HBA
0
HBD
16.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma 2 receptor CHEMBL613288 | Ki | 6.79 | 6.79 | 162.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma 2 receptor | Ki | = | 162.0 | nM | 6.79 | Binding affinity towards sigma 2 receptor was determined in rat liver membrane u... | 8295220 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 227.0 | nM | 6.64 | Binding affinity towards sigma 1 receptor was determined in guinea pig brain mem... | 8295220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8295220 | 10.1021/jm00028a016 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8295220 | 10.1021/jm00028a016 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine