Compound Detail
CHEMBL117859
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Basic Information
| ChEMBL ID | CHEMBL117859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRVPZYFIXQRRDH-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
3.08
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL4329 | Ki | 7.99 | 7.99 | 10.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 10.3 | nM | 7.99 | Evaluated for the binding affinity at kappa receptor | 7932577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932577 | 10.1021/jm00047a006 | Mus musculus | 3 |
| 7932577 | 10.1021/jm00047a006 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine