Compound Detail
CHEMBL4647871
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Basic Information
| ChEMBL ID | CHEMBL4647871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYJWNMXRNYTVLY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4650902 |
| Active Moiety | CHEMBL4650902 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.6
MW (Da)
4.53
ALogP
3
HBA
0
HBD
3.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 9.23 | 9.23 | 0.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 0.59 | nM | 9.23 | Displacement of [3H]-ditolylguanidine from human Sigma 2 receptor by radioligand... | 32435421 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand disp... | 32435421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435421 | 10.1021/acsmedchemlett.0c00129 | Sigma non-opioid intracellular receptor 1 | 1 |
| 32435421 | 10.1021/acsmedchemlett.0c00129 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine