Compound Detail
CHEMBL5084203
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Basic Information
| ChEMBL ID | CHEMBL5084203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBXVTIXNPLMZHU-OEEJBDNKSA-N |
| Parent Compound | CHEMBL5095646 |
| Active Moiety | CHEMBL5095646 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.8
MW (Da)
3.98
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.23 | 7.23 | 59.4 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.94 | 6.94 | 116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 59.4 | nM | 7.23 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 34902734 |
| Sigma intracellular receptor 2 | Ki | = | 116.0 | nM | 6.94 | Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes ... | 34902734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34902734 | 10.1016/j.ejmech.2021.114038 | Sigma non-opioid intracellular receptor 1 | 1 |
| 34902734 | 10.1016/j.ejmech.2021.114038 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine