Compound Detail
CHEMBL418460
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 | CHEMBL418460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUBOTCKKRXYMHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.69
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL3041 | Ki | 6.75 | 6.75 | 179.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.67 | 6.67 | 215.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 179.0 | nM | 6.75 | Activity was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opi... | 8642554 |
| Kappa-type opioid receptor | Ki | = | 215.0 | nM | 6.67 | Activity was evaluated by inhibition of the binding of 1 nM [3H]U-69593 at Opioi... | 8642554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642554 | 10.1021/jm950817g | Mu-type opioid receptor | 1 |
| 8642554 | 10.1021/jm950817g | Delta-type opioid receptor | 1 |
| 8642554 | 10.1021/jm950817g | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine