Compound Detail
CHEMBL12047
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Basic Information
| ChEMBL ID | CHEMBL12047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFAVXHNZCYGUPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
4.23
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3.9 | nM | 8.41 | Binding affinity towards sigma opioid receptor was determined in rat cerebral ho... | 1848295 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.3 | nM | 8.03 | Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate... | 1848295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1848295 | 10.1021/jm00107a033 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine