Compound Detail
CHEMBL1196093
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Basic Information
| ChEMBL ID | CHEMBL1196093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWSWMDIANWWRGX-IRXDYDNUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
2.92
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 4.0 | nM | 8.4 | Binding affinity to mu opioid receptor (unknown origin) | 23618710 |
| Kappa-type opioid receptor | Ki | = | 34.0 | nM | 7.47 | Binding affinity to kappa opioid receptor (unknown origin) | 23618710 |
| Delta-type opioid receptor | Ki | = | 53.0 | nM | 7.28 | Binding affinity to delta opioid receptor (unknown origin) | 23618710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23618710 | 10.1016/j.bmc.2013.02.060 | Delta-type opioid receptor | 1 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Kappa-type opioid receptor | 1 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine