Compound Detail
CHEMBL177952
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Basic Information
| ChEMBL ID | CHEMBL177952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOIXVSZRQJTOLM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
5.02
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.95
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.95 | 7.935 | 11.3 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.31 | 7.31 | 48.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.01 | nM | 9.0 | Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membr... | 26717207 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 11.3 | nM | 7.95 | Displacement of 5-(Dimethylamino)-2-(6-((5-(4-(4-methylpiperidin-1-yl)butyl)-5,6... | 26717207 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 12.1 | nM | 7.92 | Displacement of 5-(Dimethylamino)-2-{6-[(5-(4-(4-methylpiperidin-1-yl)butyl)naph... | 26717207 |
| Unchecked | Ki | = | 48.7 | nM | 7.31 | Displacement of [3H]-DTG from sigma 2 receptor in Wistar hannover rat liver memb... | 26717207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26717207 | 10.1016/j.ejmech.2015.12.014 | Sigma non-opioid intracellular receptor 1 | 5 |
| 16366605 | 10.1021/jm050654o | Sigma non-opioid intracellular receptor 1 | 1 |
| 26717207 | 10.1016/j.ejmech.2015.12.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine