Compound Detail
CHEMBL5080562
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Basic Information
| ChEMBL ID | CHEMBL5080562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUJGTPKYUIQBLY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
4.78
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.46 | 7.46 | 34.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.65 | 6.65 | 222.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 34.3 | nM | 7.46 | Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membranes measure... | 34628236 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 222.0 | nM | 6.65 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain m... | 34628236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34628236 | 10.1016/j.ejmech.2021.113879 | Sigma non-opioid intracellular receptor 1 | 1 |
| 34628236 | 10.1016/j.ejmech.2021.113879 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine