Compound Detail
CHEMBL296304
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 | CHEMBL296304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGLRKZPEAXCOCK-CGTJXYLNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.4
MW (Da)
3.25
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 20.0 | nM | 7.7 | Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in ... | 14695830 |
| Kappa-type opioid receptor | Ki | = | 200.0 | nM | 6.7 | Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radiolig... | 14695830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695830 | 10.1021/jm0304156 | Mu-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Delta-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Kappa-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; mu & delta | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine