Compound Detail
CHEMBL4167498
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Basic Information
| ChEMBL ID | CHEMBL4167498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZRKHUUDDHJVHS-KBPBESRZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.01
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 32.0 | nM | 7.5 | Binding affinity to sigma-2 receptor (unknown origin) | 29438891 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6300.0 | nM | 5.2 | Binding affinity to sigma-1 receptor (unknown origin) | 29438891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29438891 | 10.1016/j.ejmech.2017.11.016 | Sigma non-opioid intracellular receptor 1 | 1 |
| 29438891 | 10.1016/j.ejmech.2017.11.016 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine