Compound Detail
CHEMBL3355379
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Basic Information
| ChEMBL ID | CHEMBL3355379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SERREGHQSNHRJY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
3.34
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.45 | 7.45 | 35.4 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 35.4 | nM | 7.45 | Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence... | 25462276 |
| Sigma intracellular receptor 2 | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver memb... | 31255496 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 89.0 | nM | 7.05 | Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain me... | 31255496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25462276 | 10.1016/j.ejmech.2014.11.001 | Unchecked | 1 |
| 31255496 | 10.1016/j.bmc.2019.06.035 | Sigma non-opioid intracellular receptor 1 | 1 |
| 31255496 | 10.1016/j.bmc.2019.06.035 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine