Compound Detail
CHEMBL539228
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Basic Information
| ChEMBL ID | CHEMBL539228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVKCPLKPEHZAGR-KPVRICSOSA-N |
| Parent Compound | CHEMBL1189642 |
| Active Moiety | CHEMBL1189642 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
3.48
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 550.0 | nM | 6.26 | Inhibitory activity against opioid receptor mu of guinea pig brain using [3H]DAG... | 2542556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2542556 | 10.1021/jm00126a019 | Mu-type opioid receptor | 1 |
| 2542556 | 10.1021/jm00126a019 | Delta-type opioid receptor | 1 |
| 2542556 | 10.1021/jm00126a019 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine