Compound Detail
CHEMBL25386
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Basic Information
| ChEMBL ID | CHEMBL25386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFFYUKOUECKTPR-PKOBYXMFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.14
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 2800.0 | nM | 5.55 | Binding inhibition against opioid receptor kappa of guinea pig was determined us... | 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