Compound Detail
CHEMBL459746
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 | CHEMBL459746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWRBBFHZDDJXIW-GNYRAKODSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
2.49
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.55
EC50 2 meas. best 7.0
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.0 | 7.0 | 101.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 2.8 | nM | 8.55 | Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain | 19027293 |
| Mu-type opioid receptor | Ki | = | 2.9 | nM | 8.54 | Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain | 19027293 |
| Unchecked | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]Naltrindole form delta opioid receptor in guinea pig brain | 19027293 |
| Mu-type opioid receptor | EC50 | = | 101.0 | nM | 7.0 | Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPga... | 19027293 |
| Kappa-type opioid receptor | EC50 | = | 170.0 | nM | 6.77 | Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GT... | 19027293 |
| Mu-type opioid receptor | IC50 | = | 250.0 | nM | 6.6 | Activity at human cloned mu opioid receptor expressed in CHO cells assessed as i... | 19027293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Mu-type opioid receptor | 5 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Kappa-type opioid receptor | 5 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Unchecked | 2 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Opioid receptor (mu and kappa) | 1 |
Data from ChEMBL 36 via Core Engine