Compound Detail
CHEMBL142596
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 | CHEMBL142596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVJINWATNLFUKY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
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 4 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.08 | 8.87 | 0.8 | 2 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.55 | 7.55 | 28.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.19 | 5.19 | 6497.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.84 | nM | 9.08 | Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes | 1310114 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.2 | nM | 8.66 | Binding affinity was evaluated against sigma-1 binding site in guinea pig, using... | 8496936 |
| Sigma 2 receptor | Ki | = | 28.3 | nM | 7.55 | Binding affinity was evaluated against sigma-2 binding site in rat liver using [... | 8496936 |
| D(2) dopamine receptor | Ki | = | 6497.0 | nM | 5.19 | Ability to displace [3H]sulpiride from dopamine receptor D2 in rat brain | 1310114 |
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 |
| 1310114 | 10.1021/jm00079a004 | Kappa-type opioid receptor | 1 |
| 1310114 | 10.1021/jm00079a004 | Glutamate [NMDA] receptor | 1 |
| 1310114 | 10.1021/jm00079a004 | D(2) dopamine receptor | 1 |
| 8496936 | 10.1021/jm00057a006 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine