Compound Detail
CHEMBL3235107
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Basic Information
| ChEMBL ID | CHEMBL3235107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCUNZTRMTHXIHS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.99
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 8.0 | 8.0 | 9.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.83 | 5.83 | 1492.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 9.9 | nM | 8.0 | Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver memb... | 29505935 |
| Unchecked | Ki | = | 75.0 | nM | 7.12 | Binding affinity to sigma-2 opioid receptor (unknown origin) | 23734634 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1492.0 | nM | 5.83 | Binding affinity to sigma-1 opioid receptor (unknown origin) | 23734634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23734634 | 10.1021/jm301545c | Unchecked | 2 |
| 23734634 | 10.1021/jm301545c | Sigma non-opioid intracellular receptor 1 | 1 |
| 29505935 | 10.1016/j.ejmech.2018.02.065 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine