Compound Detail
CHEMBL39886
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Basic Information
| ChEMBL ID | CHEMBL39886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDPFEPSDGHQGPI-FLPIEVNYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
3.32
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.8 | 6.8 | 158.1 | 1 |
| Delta-type opioid receptor CHEMBL269 | IC50 | 6.31 | 6.31 | 487.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 5.25 | 5.25 | 5563.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 158.1 | nM | 6.8 | Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1. | 7739011 |
| Delta-type opioid receptor | IC50 | = | 487.0 | nM | 6.31 | Inhibition of [3H]DADLE radioligand binding to rat brain opioid receptor delta 1... | 7739011 |
| Kappa-type opioid receptor | IC50 | = | 5563.0 | nM | 5.25 | Inhibition of [3H]U-69593 radioligand binding to Guinea pig opioid receptor kapp... | 7739011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7739011 | 10.1021/jm00009a013 | Mu-type opioid receptor | 1 |
| 7739011 | 10.1021/jm00009a013 | Delta-type opioid receptor | 1 |
| 7739011 | 10.1021/jm00009a013 | Kappa-type opioid receptor | 1 |
| 7739011 | 10.1021/jm00009a013 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine