Compound Detail
CHEMBL111896
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Basic Information
| ChEMBL ID | CHEMBL111896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBEVNYGQARSQPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.44
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.7 | nM | 8.17 | Binding affinity towards sigma receptor in guinea pig brain membranes using [3H]... | 1662725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1662725 | 10.1021/jm00116a003 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine