Compound Detail
CHEMBL3759238
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Basic Information
| ChEMBL ID | CHEMBL3759238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSCRKXLANCGZGY-QEBLJORPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.27
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.74 | 9.74 | 0.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.18 | nM | 9.74 | Binding affinity to kappa opioid receptor (unknown origin) | 26656913 |
| Mu-type opioid receptor | Ki | = | 0.38 | nM | 9.42 | Binding affinity at mu opioid receptor (unknown origin) | 26656913 |
| Delta-type opioid receptor | Ki | = | 1.0 | nM | 9.0 | Binding affinity at delta opioid receptor (unknown origin) | 26656913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26656913 | 10.1016/j.ejmech.2015.11.028 | Mu-type opioid receptor | 1 |
| 26656913 | 10.1016/j.ejmech.2015.11.028 | Delta-type opioid receptor | 1 |
| 26656913 | 10.1016/j.ejmech.2015.11.028 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine