Compound Detail
CHEMBL280160
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL280160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJSNGVRGYKYSOZ-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
4.62
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.5 | nM | 9.3 | Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 recept... | 28244748 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.9 | nM | 9.05 | Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3... | 8164264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164264 | 10.1021/jm00034a020 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine