Compound Detail
CHEMBL47512
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Basic Information
| ChEMBL ID | CHEMBL47512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBOHPBGICFUISW-OOGGRKRCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
0.59
ALogP
4
HBA
2
HBD
75.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 34.0 | nM | 7.47 | Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes usin... | 11425545 |
| Delta-type opioid receptor | Ki | = | 1900.0 | nM | 5.72 | Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes u... | 11425545 |
| Kappa-type opioid receptor | Ki | = | 2000.0 | nM | 5.7 | Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3... | 11425545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425545 | 10.1016/s0960-894x(01)00278-5 | Mu-type opioid receptor | 1 |
| 11425545 | 10.1016/s0960-894x(01)00278-5 | Delta-type opioid receptor | 1 |
| 11425545 | 10.1016/s0960-894x(01)00278-5 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine