Compound Detail
CHEMBL1172689
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Basic Information
| ChEMBL ID | CHEMBL1172689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCNXGYVVSPWIJU-JOCHJYFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.04
ALogP
5
HBA
0
HBD
39.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.31 | 9.065 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.49 | nM | 9.31 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.5 | nM | 8.82 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20427100 | 10.1016/j.ejmech.2010.03.048 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine