Compound Detail
CHEMBL5432062
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Basic Information
| ChEMBL ID | CHEMBL5432062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEHXWPHILAGKIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.81
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 10.89 | 10.89 | 0.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.09 | 6.09 | 813.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.013 | nM | 10.89 | Binding affinity to S1R (unknown origin) | 37535861 |
| Sigma intracellular receptor 2 | Ki | = | 813.0 | nM | 6.09 | Binding affinity to S2R (unknown origin) | 37535861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37535861 | 10.1021/acs.jmedchem.3c00959 | Sigma non-opioid intracellular receptor 1 | 1 |
| 37535861 | 10.1021/acs.jmedchem.3c00959 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine