Compound Detail
CHEMBL552794
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Basic Information
| ChEMBL ID | CHEMBL552794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPFYUNCOZXXZRT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194508 |
| Active Moiety | CHEMBL1194508 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.3
MW (Da)
2.88
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.46 | 7.46 | 34.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 34.5 | nM | 7.46 | Binding affinity towards sigma receptor in guinea pig brain membrane was determi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00067-4 | Sigma non-opioid intracellular receptor 1 | 1 |
| - | 10.1016/0960-894X(96)00067-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine