Compound Detail
CHEMBL43104
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL43104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSEWXIMFSFNCSM-WOJBJXKFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
3.58
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.09 | 6.09 | 816.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.08 | 6.08 | 833.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 816.0 | nM | 6.09 | Binding affinity towards opioid receptor kappa was determined | 2567782 |
| Mu-type opioid receptor | Ki | = | 833.0 | nM | 6.08 | Binding affinity towards opioid receptor mu was determined | 2567782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2567782 | 10.1021/jm00127a036 | Mu-type opioid receptor | 2 |
| 2567782 | 10.1021/jm00127a036 | Kappa-type opioid receptor | 1 |
| 2567782 | 10.1021/jm00127a036 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine