Compound Detail
CHEMBL3302622
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Basic Information
| ChEMBL ID | CHEMBL3302622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEFVHLMGRUJLET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.63
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 2.81 | nM | 8.55 | Displacement of [3H]DAMGO from rat brain mu opioid receptor incubated for 60 min... | 31391893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31391893 | 10.1039/C9MD00222G | Sigma non-opioid intracellular receptor 1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 31391893 | 10.1039/C9MD00222G | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine