Compound Detail
CHEMBL5408800
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Basic Information
| ChEMBL ID | CHEMBL5408800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHLUHFWTHSYQMO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.84
ALogP
5
HBA
1
HBD
56.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.32 | 6.32 | 474.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]-ditolylguanidine from sigma 2 receptor/TMEM97 in rat PC-12 ... | 36088757 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 474.0 | nM | 6.32 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain as... | 36088757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36088757 | 10.1016/j.ejmech.2022.114696 | Sigma intracellular receptor 2 | 1 |
| 36088757 | 10.1016/j.ejmech.2022.114696 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine