Compound Detail
CHEMBL168625
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Basic Information
| ChEMBL ID | CHEMBL168625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DINHVBGJVOAMBL-XHLMSTEBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
4.61
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 95.0 | nM | 7.02 | Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DA... | 12593663 |
| Kappa-type opioid receptor | Ki | = | 300.0 | nM | 6.52 | Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H... | 12593663 |
| Delta-type opioid receptor | Ki | = | 3600.0 | nM | 5.44 | Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H... | 12593663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593663 | 10.1021/jm020429w | Kappa-type opioid receptor | 2 |
| 12593663 | 10.1021/jm020429w | Mu-type opioid receptor | 1 |
| 12593663 | 10.1021/jm020429w | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine