Compound Detail
CHEMBL431947
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Basic Information
| ChEMBL ID | CHEMBL431947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMPYGANIBIHENG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
2.95
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL3041 | Ki | 7.71 | 7.655 | 19.3 | 2 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.21 | 7.06 | 60.9 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.85 | 5.51 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 19.3 | nM | 7.71 | Activity was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opi... | 8642554 |
| Mu-type opioid receptor | Ki | = | 25.2 | nM | 7.6 | Activity was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opi... | 8642554 |
| Kappa-type opioid receptor | Ki | = | 60.9 | nM | 7.21 | Activity was evaluated by inhibition of the binding of 1 nM [3H]U-69593 at Opioi... | 8642554 |
| Kappa-type opioid receptor | Ki | = | 123.0 | nM | 6.91 | Activity was evaluated by inhibition of the binding of 1 nM [3H]U-69593 at Opioi... | 8642554 |
| Delta-type opioid receptor | Ki | = | 1400.0 | nM | 5.85 | Activity was evaluated by inhibition of the binding of 1 nM [3H]DPDPE at Opioid ... | 8642554 |
| Delta-type opioid receptor | Ki | = | 6740.0 | nM | 5.17 | Activity was evaluated by inhibition of the binding of 1 nM [3H]DPDPE at Opioid ... | 8642554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642554 | 10.1021/jm950817g | Mu-type opioid receptor | 2 |
| 8642554 | 10.1021/jm950817g | Delta-type opioid receptor | 2 |
| 8642554 | 10.1021/jm950817g | Kappa-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine