Compound Detail
CHEMBL422563
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 | CHEMBL422563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHSQUTOUXRPUSB-GDTQQENISA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.76
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.3
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.5 | nM | 9.3 | Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H... | 12593663 |
| Mu-type opioid receptor | Ki | = | 0.64 | nM | 9.19 | Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DA... | 12593663 |
| Kappa-type opioid receptor | EC50 | = | 10.0 | nM | 8.0 | Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid re... | 12593663 |
| Delta-type opioid receptor | Ki | = | 21.0 | nM | 7.68 | Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H... | 12593663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593663 | 10.1021/jm020429w | Kappa-type opioid receptor | 4 |
| 12593663 | 10.1021/jm020429w | Mu-type opioid receptor | 1 |
| 12593663 | 10.1021/jm020429w | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine