Compound Detail
CHEMBL144552
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Basic Information
| ChEMBL ID | CHEMBL144552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWBYHFGOUVXDNK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
2.96
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.07 | 7.07 | 84.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.15 | nM | 8.38 | Binding affinity for sigma-1 receptor by displacing [3H]-(+) pentazocine | 11814827 |
| Sigma 2 receptor | Ki | = | 84.4 | nM | 7.07 | Binding affinity for sigma-2 receptor by displacing [3H]DTG in presence of dextr... | 11814827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814827 | 10.1016/s0960-894x(01)00788-0 | Sigma non-opioid intracellular receptor 1 | 1 |
| 11814827 | 10.1016/s0960-894x(01)00788-0 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine