Compound Detail
CHEMBL5086596
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Basic Information
| ChEMBL ID | CHEMBL5086596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBAFLJKJSZMKSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.0
MW (Da)
5.43
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.17 | 7.17 | 67.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 3.3 | nM | 8.48 | Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membranes measure... | 34628236 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 67.1 | nM | 7.17 | 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