Compound Detail
CHEMBL152618
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Basic Information
| ChEMBL ID | CHEMBL152618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBZZWPSKPIVFNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.2
MW (Da)
2.98
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 8.9 | nM | 8.05 | Binding affinity was evaluated against sigma-1 binding site in guinea pig, using... | 8496936 |
| Sigma 2 receptor | Ki | = | 220.0 | nM | 6.66 | Binding affinity was evaluated against sigma-2 binding site in rat liver using [... | 8496936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496936 | 10.1021/jm00057a006 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8496936 | 10.1021/jm00057a006 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine