Compound Detail
CHEMBL5437684
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 | CHEMBL5437684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDJWETHIUZQSGZ-LPHOPBHVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
3.17
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.12
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.12 | 8.12 | 7.5 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 7.5 | nM | 8.12 | Agonist activity at human mu opioid receptor stably transfected in CHO cells by ... | 37414346 |
| Kappa-type opioid receptor | IC50 | = | 1650.0 | nM | 5.78 | KOR beta-Arrestin Agonist and Antagonist Assays: KOR β-Arrestin Agonist and Anta... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37414346 | 10.1016/j.bmcl.2023.129405 | ADMET | 3 |
| 37414346 | 10.1016/j.bmcl.2023.129405 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine