Compound Detail
CHEMBL279065
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Basic Information
| ChEMBL ID | CHEMBL279065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHBTZWGPHRHWQZ-FUHWJXTLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.2
MW (Da)
4.69
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against opioid receptor mu of guinea pig brain using [3H]DAG... | 2542556 |
| Kappa-type opioid receptor | IC50 | = | 105.0 | nM | 6.98 | Binding inhibition against opioid receptor kappa of guinea pig was determined us... | 2542556 |
| Delta-type opioid receptor | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory activity against opioid receptor delta of guinea pig was determined b... | 2542556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2542556 | 10.1021/jm00126a019 | Mus musculus | 2 |
| 2542556 | 10.1021/jm00126a019 | Mu-type opioid receptor | 1 |
| 2542556 | 10.1021/jm00126a019 | Delta-type opioid receptor | 1 |
| 2542556 | 10.1021/jm00126a019 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine