Compound Detail
CHEMBL2332501
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Basic Information
| ChEMBL ID | CHEMBL2332501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNCNRWUMNFNHSO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
2.09
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.97 | 6.895 | 107.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 20.0 | nM | 7.7 | Binding affinity to guinea pig brain membrane sigma-2 opioid receptor by radioli... | 23734634 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 107.15 | nM | 6.97 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain | 23414839 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 152.0 | nM | 6.82 | Binding affinity to guinea pig brain membrane sigma-1 opioid receptor by radioli... | 23734634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23414839 | 10.1016/j.bmcl.2013.01.069 | Sigma non-opioid intracellular receptor 1 | 2 |
| 23734634 | 10.1021/jm301545c | Unchecked | 2 |
| 23734634 | 10.1021/jm301545c | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine