Compound Detail
CHEMBL5278417
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O=C(COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5278417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKSSSOWOJYECQR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
865.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.33 | 6.33 | 473.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membrane a... | 36919956 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 473.0 | nM | 6.33 | 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 |
Data from ChEMBL 36 via Core Engine