Compound Detail
CHEMBL596371
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 | CHEMBL596371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSSZOJFXUSHIGB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.32
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.56 | 6.56 | 273.0 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | IC50 | 6.46 | 6.46 | 351.0 | 1 |
| Mu-type opioid receptor CHEMBL2858 | IC50 | 5.61 | 5.61 | 2435.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 273.0 | nM | 6.56 | Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in HEK293 c... | 19646882 |
| Kappa-type opioid receptor | IC50 | = | 351.0 | nM | 6.46 | Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 ce... | 19646882 |
| Mu-type opioid receptor | IC50 | = | 2435.0 | nM | 5.61 | Displacement of [3H]DAMGO from mouse mu opioid receptor expressed in HEK293 cell... | 19646882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19646882 | 10.1016/j.bmc.2009.07.007 | Delta-type opioid receptor | 4 |
| 19646882 | 10.1016/j.bmc.2009.07.007 | Unchecked | 2 |
| 19646882 | 10.1016/j.bmc.2009.07.007 | Mu-type opioid receptor | 1 |
| 19646882 | 10.1016/j.bmc.2009.07.007 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine