Compound Detail
CHEMBL302096
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Basic Information
| ChEMBL ID | CHEMBL302096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPNQEJLSMHORHY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
4.47
ALogP
4
HBA
1
HBD
55.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.72 | 7.72 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 19.0 | nM | 7.72 | Binding affinity for Sigma opioid receptor type 1 in guinea pig brain homogenate... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 19.0 | nM | 7.72 | Binding affinity for Sigma opioid receptor type 2 in guinea pig brain homogenate... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80068-2 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine