Compound Detail
CHEMBL110099
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Basic Information
| ChEMBL ID | CHEMBL110099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XABIADSWBZBAMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
3.43
ALogP
4
HBA
0
HBD
13.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma 2 receptor CHEMBL613288 | Ki | 7.27 | 7.27 | 53.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma 2 receptor | Ki | = | 53.6 | nM | 7.27 | Binding affinity towards sigma 2 receptor was determined in rat liver membrane u... | 8295220 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 110.0 | nM | 6.96 | 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