Compound Detail
CHEMBL128796
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Basic Information
| ChEMBL ID | CHEMBL128796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJROJAHLFHCPAF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.85
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.81 | 7.81 | 15.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 15.4 | nM | 7.81 | Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minu... | 1846921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1846921 | 10.1021/jm00105a061 | Mus musculus | 1 |
| 1846921 | 10.1021/jm00105a061 | Kappa-type opioid receptor | 1 |
| 1846921 | 10.1021/jm00105a061 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine