Compound Detail
CHEMBL77120
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Basic Information
| ChEMBL ID | CHEMBL77120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBADJXNDTCDGBR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.49
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.52 | 7.52 | 30.1 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 30.1 | nM | 7.52 | Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3... | 9632369 |
| Sigma 2 receptor | Ki | = | 227.0 | nM | 6.64 | Binding affinity towards sigma 2 receptor site in rat liver membranes using [3H]... | 9632369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632369 | 10.1021/jm980032l | Sigma non-opioid intracellular receptor 1 | 2 |
| 9632369 | 10.1021/jm980032l | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine