Compound Detail
CHEMBL301421
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Basic Information
| ChEMBL ID | CHEMBL301421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBLYKDHZSNMTDF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
3.33
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL3041 | Ki | 6.53 | 6.115 | 297.0 | 2 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.39 | 5.805 | 409.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 297.0 | nM | 6.53 | Activity was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opi... | 8642554 |
| Kappa-type opioid receptor | Ki | = | 409.0 | nM | 6.39 | Activity was evaluated by inhibition of the binding of 1 nM [3H]U-69593 at Opioi... | 8642554 |
| Mu-type opioid receptor | Ki | = | 2020.0 | nM | 5.7 | Activity was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opi... | 8642554 |
| Kappa-type opioid receptor | Ki | = | 5960.0 | nM | 5.22 | Activity was evaluated by inhibition of the binding of 1 nM [3H]U-69593 at Opioi... | 8642554 |
| Delta-type opioid receptor | Ki | = | 10000.0 | nM | 5.0 | 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