Compound Detail
CHEMBL502377
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Basic Information
| ChEMBL ID | CHEMBL502377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHUXOEGREIFOAV-LJQANCHMSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.37
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.92 | 7.92 | 12.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.16 | 7.16 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 12.0 | nM | 7.92 | Binding affinity to sigma 1 receptor | 19243173 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 12.0 | nM | 7.92 | Binding affinity to sigma-1 receptor in guinea pig brain homogenates | 24331758 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma-1 receptor afte... | - |
| Unchecked | Ki | = | 70.0 | nM | 7.16 | Binding affinity to sigma-2 receptor in rat liver homogenates | 24331758 |
| Unchecked | Ki | = | 70.0 | nM | 7.16 | Displacement of [3H]-di-o-tolylguanidine from rat liver sigma-2 receptor after 1... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24331758 | 10.1016/j.bmc.2013.11.033 | Unchecked | 2 |
| - | 10.1039/C2MD20070H | Unchecked | 2 |
| 19243173 | 10.1021/jm801522j | Sigma non-opioid intracellular receptor 1 | 1 |
| 24331758 | 10.1016/j.bmc.2013.11.033 | RPMI-8226 | 1 |
| 24331758 | 10.1016/j.bmc.2013.11.033 | Sigma non-opioid intracellular receptor 1 | 1 |
| - | 10.1039/C2MD20070H | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine