Compound Detail
CHEMBL1170334
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Basic Information
| ChEMBL ID | CHEMBL1170334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZBWVHASUBFKTB-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.11
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.59 | 7.175 | 2.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.6 | nM | 8.59 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1720.0 | nM | 5.76 | 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