Compound Detail
CHEMBL4650581
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Basic Information
| ChEMBL ID | CHEMBL4650581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEBCMFLMLQEJBU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.5
MW (Da)
2.61
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.1 | nM | 8.68 | Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition con... | 36716640 |
| Sigma intracellular receptor 2 | Ki | = | 90.0 | nM | 7.05 | Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition con... | 36716640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36716640 | 10.1016/j.ejmech.2023.115163 | Sigma non-opioid intracellular receptor 1 | 1 |
| 36716640 | 10.1016/j.ejmech.2023.115163 | Sigma intracellular receptor 2 | 1 |
| 36716640 | 10.1016/j.ejmech.2023.115163 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine