Compound Detail
CHEMBL3235468
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Basic Information
| ChEMBL ID | CHEMBL3235468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSPWSCFMVXPMNL-COSXAGSESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.3
MW (Da)
5.09
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.87 | 7.87 | 13.4 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.87 | 7.87 | 13.4 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.13 | 5.13 | 7436.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.13 | 5.13 | 7436.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 13.4 | nM | 7.87 | Binding affinity to sigma-2 opioid receptor (unknown origin) | 23734634 |
| Sigma intracellular receptor 2 | Ki | = | 13.4 | nM | 7.87 | Displacement of [3H]di-o-tolylguanidine from rat liver membrane sigma 2 receptor... | 37607512 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7436.0 | nM | 5.13 | Binding affinity to sigma-1 opioid receptor (unknown origin) | 23734634 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7436.0 | nM | 5.13 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 37607512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23734634 | 10.1021/jm301545c | Unchecked | 2 |
| 23734634 | 10.1021/jm301545c | Sigma non-opioid intracellular receptor 1 | 1 |
| 37607512 | 10.1021/acs.jmedchem.3c01060 | Sigma non-opioid intracellular receptor 1 | 1 |
| 37607512 | 10.1021/acs.jmedchem.3c01060 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine