Compound Detail
CHEMBL5082522
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Basic Information
| ChEMBL ID | CHEMBL5082522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIWZJSZPLJQSIA-WTQRLHSKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
4.65
ALogP
5
HBA
1
HBD
43.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 9.3 | 8.23 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at mu opioid receptor (unknown origin) assessed as increase in ... | 34802839 |
| Mu-type opioid receptor | EC50 | = | 69.0 | nM | 7.16 | Agonist activity at mu opioid receptor (unknown origin) assessed as beta arresti... | 34802839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34802839 | 10.1016/j.ejmech.2021.113986 | Mu-type opioid receptor | 4 |
Data from ChEMBL 36 via Core Engine