Compound Detail
CHEMBL308816
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Basic Information
| ChEMBL ID | CHEMBL308816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZWVJQQHNHWAKC-LWKPJOBUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
4.32
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.97 | 8.97 | 1.1 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 8.45 | 8.45 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.08 | nM | 8.97 | Inhibition of [3H]pentazocine binding to Sigma opioid receptor type 1 | - |
| Sigma 2 receptor | Ki | = | 3.54 | nM | 8.45 | Inhibition of [3H]-DTG binding to Sigma opioid receptor type 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00417-4 | Sigma non-opioid intracellular receptor 1 | 2 |
| - | 10.1016/S0960-894X(97)00417-4 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine