Compound Detail
CHEMBL5432579
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Basic Information
| ChEMBL ID | CHEMBL5432579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUPHSNGASWSZQV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
3.89
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 23.0 | nM | 7.64 | Displacement of [3H]-(+)-DTG from rat liver homogenate S2R incubated for 120 min... | 37535861 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]-(+)-pentazocine from rat liver homogenate S1R incubated for... | 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 |
| 37535861 | 10.1021/acs.jmedchem.3c00959 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine