Compound Detail
CHEMBL73226
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Basic Information
| ChEMBL ID | CHEMBL73226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFIYELFTWUFXOM-OALUTQOASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
3.75
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 6.15 | 6.15 | 702.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.79 | 5.79 | 1640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 1.5 | nM | 8.82 | Binding affinity against opioid receptor kappa from guinea pig brain membranes u... | 1319495 |
| Mu-type opioid receptor | Ki | = | 702.0 | nM | 6.15 | Binding affinity against opioid receptor mu from guinea pig brain membranes usin... | 1319495 |
| Delta-type opioid receptor | Ki | = | 1640.0 | nM | 5.79 | Binding affinity against opioid receptor delta from guinea pig brain membranes u... | 1319495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1319495 | 10.1021/jm00090a015 | Mu-type opioid receptor | 1 |
| 1319495 | 10.1021/jm00090a015 | Kappa-type opioid receptor | 1 |
| 1319495 | 10.1021/jm00090a015 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine