Compound Detail
CHEMBL358109
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Basic Information
| ChEMBL ID | CHEMBL358109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHXKIAKUHUUOBY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
266.8
MW (Da)
2.91
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.83 | 8.725 | 1.5 | 2 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.3 | 7.3 | 50.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.47 | nM | 8.83 | Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes | 1310114 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.4 | nM | 8.62 | Binding affinity was evaluated against sigma-1 binding site in guinea pig, using... | 8496936 |
| Sigma 2 receptor | Ki | = | 50.5 | nM | 7.3 | Binding affinity was evaluated against sigma-2 binding site in rat liver using [... | 8496936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496936 | 10.1021/jm00057a006 | Sigma non-opioid intracellular receptor 1 | 2 |
| 1310114 | 10.1021/jm00079a004 | Sigma non-opioid intracellular receptor 1 | 1 |
| 8496936 | 10.1021/jm00057a006 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine