Compound Detail
CHEMBL1831161
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Basic Information
| ChEMBL ID | CHEMBL1831161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQHZYDSGAKUASD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
6.04
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.91 | 7.91 | 12.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.03 | 7.03 | 92.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 12.3 | nM | 7.91 | Displacement of [3H]di-o-tolylguanidine from sigma 2 receptor in rat brain membr... | 21899931 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 92.43 | nM | 7.03 | Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane ... | 21899931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21899931 | 10.1016/j.ejmech.2011.08.031 | Unchecked | 2 |
| 21899931 | 10.1016/j.ejmech.2011.08.031 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine