Compound Detail
CHEMBL2260849
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Basic Information
| ChEMBL ID | CHEMBL2260849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AETYSQAVZQJJIL-GNXLQELYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.5
MW (Da)
3.84
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.38 | 6.38 | 418.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.26 | nM | 8.9 | Displacement of [3H](+)pentazocine from sigma-1 receptor in Cavia porcellus (gui... | - |
| Kappa-type opioid receptor | Ki | = | 418.0 | nM | 6.38 | Binding affinity to Kappa opioid receptor (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-005-0131-1 | Kappa-type opioid receptor | 1 |
| - | 10.1007/s00044-005-0131-1 | Unchecked | 1 |
| - | 10.1007/s00044-005-0131-1 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine