Compound Detail
CHEMBL4524446
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Basic Information
| ChEMBL ID | CHEMBL4524446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPLPXDPQOUENFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
2.65
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 0.28 | nM | 9.55 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumul... | 31749912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31749912 | 10.1021/acsmedchemlett.9b00404 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine