Compound Detail
CHEMBL129075
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Basic Information
| ChEMBL ID | CHEMBL129075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQRHYMCKWQMTIO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
5.02
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.76
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 22.0 | nM | 7.66 | Evaluated for the binding affinity towards sigma 1 receptor by displacing the ra... | 9767631 |
| Sigma 2 receptor | IC50 | = | 109.0 | nM | 6.96 | Evaluated for the binding affinity towards sigma 2 receptor by displacing the ra... | 9767631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767631 | 10.1021/jm970692a | Sigma non-opioid intracellular receptor 1 | 2 |
| 9767631 | 10.1021/jm970692a | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine