Compound Detail
CHEMBL4562635
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Basic Information
| ChEMBL ID | CHEMBL4562635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFNFODVRYCEIQL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
1.72
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
IC50 1 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.53 | 6.53 | 295.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 17.0 | nM | 7.77 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumul... | 31749912 |
| Mu-type opioid receptor | IC50 | = | 295.1 | nM | 6.53 | 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 |
| 31391893 | 10.1039/C9MD00222G | Mu-type opioid receptor | 1 |
| 31749912 | 10.1021/acsmedchemlett.9b00404 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine