Compound Detail
CHEMBL238280
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Basic Information
| ChEMBL ID | CHEMBL238280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTROKUVCIXKYCV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.49
ALogP
4
HBA
3
HBD
84.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.69 | 7.69 | 20.6 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.67 | 6.67 | 214.7 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.94 | 5.94 | 1147.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 20.55 | nM | 7.69 | Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO... | 17720493 |
| Delta-type opioid receptor | Ki | = | 214.73 | nM | 6.67 | Displacement of [3H]bremazocine from human delta opioid receptor expressed in CH... | 17720493 |
| Kappa-type opioid receptor | Ki | = | 1147.5 | nM | 5.94 | Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in ... | 17720493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17720493 | 10.1016/j.bmcl.2007.08.008 | Kappa-type opioid receptor | 1 |
| 17720493 | 10.1016/j.bmcl.2007.08.008 | Mu-type opioid receptor | 1 |
| 17720493 | 10.1016/j.bmcl.2007.08.008 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine