Compound Detail
CHEMBL3326796
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Basic Information
| ChEMBL ID | CHEMBL3326796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOLFDRKFPCNCDT-YUXAGFNASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
4.62
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.77 | 6.77 | 169.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.13 | 6.13 | 749.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 7.7 | nM | 8.11 | Binding affinity to human mu opioid receptor expressed in CHO cells | 25133923 |
| Delta-type opioid receptor | Ki | = | 169.0 | nM | 6.77 | Binding affinity to human delta opioid receptor expressed in CHO cells | 25133923 |
| Kappa-type opioid receptor | Ki | = | 749.0 | nM | 6.13 | Binding affinity to human kappa opioid receptor expressed in CHO cells | 25133923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25133923 | 10.1021/jm5008177 | Mu-type opioid receptor | 2 |
| 25133923 | 10.1021/jm5008177 | Kappa-type opioid receptor | 2 |
| 25133923 | 10.1021/jm5008177 | Delta-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine