Compound Detail
CHEMBL4205477
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Basic Information
| ChEMBL ID | CHEMBL4205477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIICNJJJSVLWJW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.25
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 1100.0 | nM | 5.96 | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 120 mi... | 28704758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Unchecked | 2 |
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine