Compound Detail
CHEMBL4778918
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Basic Information
| ChEMBL ID | CHEMBL4778918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGXBZPOHKHDSPD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.69
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.78 | 7.78 | 16.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]-(+)-pnetazocin from sigma1 receptor in guinea pig brain mem... | 32087465 |
| Mu-type opioid receptor | Ki | = | 16.7 | nM | 7.78 | Displacement of [3H]-diprenorphin from human mu opioid receptor expressed in CHO... | 32087465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32087465 | 10.1016/j.ejmech.2020.112144 | Sigma non-opioid intracellular receptor 1 | 1 |
| 32087465 | 10.1016/j.ejmech.2020.112144 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine