Compound Detail
CHEMBL249567
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 | CHEMBL249567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJUSUJLGEJSZEC-CGOBKJRRSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
5.36
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.8
Ki 3 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.38 | nM | 9.42 | Displacement of [3H]U-69593 from kappa opioid receptor expressed in CHO cells | 17935988 |
| Mu-type opioid receptor | Ki | = | 2.4 | nM | 8.62 | Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells | 17935988 |
| Delta-type opioid receptor | Ki | = | 2.5 | nM | 8.6 | Displacement of [3H]naltrindole from delta opioid receptor expressed in CHO cell... | 17935988 |
| Mu-type opioid receptor | EC50 | = | 16.0 | nM | 7.8 | Agonist activity at human mu opioid receptor expressed in CHO cell membrane by [... | 17935988 |
| Delta-type opioid receptor | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at human delta opioid receptor expressed in CHO cell membrane b... | 17935988 |
| Kappa-type opioid receptor | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at human kappa opioid receptor expressed in CHO cell membrane b... | 17935988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17935988 | 10.1016/j.bmcl.2007.09.082 | Mu-type opioid receptor | 4 |
| 17935988 | 10.1016/j.bmcl.2007.09.082 | Delta-type opioid receptor | 4 |
| 17935988 | 10.1016/j.bmcl.2007.09.082 | Kappa-type opioid receptor | 4 |
Data from ChEMBL 36 via Core Engine