Compound Detail
CHEMBL2322565
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Basic Information
| ChEMBL ID | CHEMBL2322565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAYPABWTCYOWGX-BDYUSTAISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.34
ALogP
4
HBA
4
HBD
87.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1... | 23419026 |
| Delta-type opioid receptor | Ki | = | 120.0 | nM | 6.92 | Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1... | 23419026 |
| Kappa-type opioid receptor | Ki | = | 1200.0 | nM | 5.92 | Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 ... | 23419026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23419026 | 10.1021/jm400050y | Delta-type opioid receptor | 1 |
| 23419026 | 10.1021/jm400050y | Kappa-type opioid receptor | 1 |
| 23419026 | 10.1021/jm400050y | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine