Compound Detail
CHEMBL335953
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Basic Information
| ChEMBL ID | CHEMBL335953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQMSXQHNJUJNCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.74
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 6.77 | 6.77 | 171.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3.97 | nM | 8.4 | Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membr... | 11728186 |
| Sigma 2 receptor | Ki | = | 171.4 | nM | 6.77 | Binding affinity for sigma 2 opioid receptor, measured on rat liver membranes us... | 11728186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728186 | 10.1021/jm010384j | Sigma non-opioid intracellular receptor 1 | 2 |
| 11728186 | 10.1021/jm010384j | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine