Compound Detail
CHEMBL5274616
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Basic Information
| ChEMBL ID | CHEMBL5274616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWLWNPOFKPUZCM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.28
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 3.7 | nM | 8.43 | Displacement of [H3]DTG from sigma 2 receptor (unknown origin) by competition bi... | 36202063 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 29.0 | nM | 7.54 | Displacement of [H3]DTG from sigma 1 receptor (unknown origin) by competition bi... | 36202063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36202063 | 10.1016/j.bmc.2022.117032 | Sigma non-opioid intracellular receptor 1 | 1 |
| 36202063 | 10.1016/j.bmc.2022.117032 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine