Compound Detail
CHEMBL151136
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Basic Information
| ChEMBL ID | CHEMBL151136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVKIRWQJJUCRGN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.02
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.22 | 7.22 | 59.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.3 | nM | 8.37 | Binding affinity was evaluated against sigma-1 binding site in guinea pig, using... | 8496936 |
| Sigma 2 receptor | Ki | = | 59.8 | nM | 7.22 | 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