Compound Detail
CHEMBL5424782
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Basic Information
| ChEMBL ID | CHEMBL5424782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVSNWYWRNYSZHQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.34
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.7 | 6.7 | 200.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 200.6 | nM | 6.7 | Agonist activity at mu-opioid receptor (unknown origin) expressed in CHO cells a... | 38015878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38015878 | 10.1021/acs.jmedchem.3c01637 | Mu-type opioid receptor | 1 |
| 38015878 | 10.1021/acs.jmedchem.3c01637 | Sigma non-opioid intracellular receptor 1 | 1 |
| 38015878 | 10.1021/acs.jmedchem.3c01637 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine