Compound Detail
CHEMBL5271751
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Basic Information
| ChEMBL ID | CHEMBL5271751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILTBESPLAHRSLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
4.94
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 9.37 | 9.37 | 0.4 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.56 | 7.56 | 27.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 0.43 | nM | 9.37 | Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membrane a... | 36919956 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 27.3 | nM | 7.56 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 36919956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36919956 | 10.1021/acs.jmedchem.2c01227 | Sigma non-opioid intracellular receptor 1 | 1 |
| 36919956 | 10.1021/acs.jmedchem.2c01227 | Sigma intracellular receptor 2 | 1 |
| 36919956 | 10.1021/acs.jmedchem.2c01227 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine