Compound Detail
CHEMBL157301
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Basic Information
| ChEMBL ID | CHEMBL157301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHYWXBNKDLNMDH-BXBUHSQYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
2.98
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 2.6 | nM | 8.59 | Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain mem... | 11266156 |
| Mu-type opioid receptor | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]DAMGO from Opioid receptor mu 1 of guinea pig brain membrane... | 11266156 |
| Delta-type opioid receptor | Ki | = | 63.0 | nM | 7.2 | Displacement of [3H]naltrindole from Opioid receptor delta 1 of guinea pig brain... | 11266156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266156 | 10.1016/s0960-894x(01)00014-2 | Mu-type opioid receptor | 1 |
| 11266156 | 10.1016/s0960-894x(01)00014-2 | Delta-type opioid receptor | 1 |
| 11266156 | 10.1016/s0960-894x(01)00014-2 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine