Compound Detail
CHEMBL607332
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Basic Information
| ChEMBL ID | CHEMBL607332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHXOYHJXSJLTPK-FCHUYYIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.25
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 77.0 | nM | 7.11 | Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand | 2172538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2172538 | 10.1021/jm00173a030 | Kappa-type opioid receptor | 2 |
| 2172538 | 10.1021/jm00173a030 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine