Compound Detail
CHEMBL129091
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 | CHEMBL129091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICCQZPVAIITDSY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.5
MW (Da)
4.63
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma 2 receptor CHEMBL613288 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.33 | 5.33 | 4660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma 2 receptor | IC50 | = | 1.01 | nM | 9.0 | Evaluated for the binding affinity towards sigma 2 receptor by displacing the ra... | 9767631 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 4660.0 | nM | 5.33 | Evaluated for the binding affinity towards sigma 1 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