Compound Detail
CHEMBL61718
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Basic Information
| ChEMBL ID | CHEMBL61718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGBBSWHUIPWRCP-HNAYVOBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
4.32
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.5 | 6.5 | 315.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 315.0 | nM | 6.5 | Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig membr... | 9599247 |
| Mu-type opioid receptor | Ki | = | 1280.0 | nM | 5.89 | Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes | 9599247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599247 | 10.1021/jm980063g | Mu-type opioid receptor | 1 |
| 9599247 | 10.1021/jm980063g | Delta-type opioid receptor | 1 |
| 9599247 | 10.1021/jm980063g | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine