Compound Detail
CHEMBL5407379
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Basic Information
| ChEMBL ID | CHEMBL5407379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYYNSBFCCSYXRP-UNMCSNQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.71
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at human mu opioid receptor stably transfected in CHO cells ... | 37414346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37414346 | 10.1016/j.bmcl.2023.129405 | Mu-type opioid receptor | 3 |
Data from ChEMBL 36 via Core Engine