Compound Detail
CHEMBL327956
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Basic Information
| ChEMBL ID | CHEMBL327956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPRHRZPHQFTUAB-YCRPNKLZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
2.51
ALogP
3
HBA
3
HBD
82.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Ki | 7.82 | 7.82 | 15.1 | 1 |
| Kappa-type opioid receptor CHEMBL4329 | Ki | 7.15 | 7.15 | 70.4 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 6.86 | 6.86 | 139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 15.1 | nM | 7.82 | inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogena... | - |
| Kappa-type opioid receptor | Ki | = | 70.4 | nM | 7.15 | Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in ... | - |
| Mu-type opioid receptor | Ki | = | 139.0 | nM | 6.86 | Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10119-6 | Delta-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Mu-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine