Compound Detail
CHEMBL55948
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Basic Information
| ChEMBL ID | CHEMBL55948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHNGZRXXVLXNOE-URJRECBDSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
4.22
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.39 | 6.39 | 410.0 | 2 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 6.11 | 6.11 | 770.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.75 | 5.75 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 410.0 | nM | 6.39 | Binding affinity was determined against Opioid receptor kappa 1 obtained from gu... | 10673107 |
| Kappa-type opioid receptor | Ki | = | 410.0 | nM | 6.39 | Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H... | 12593663 |
| Mu-type opioid receptor | Ki | = | 770.0 | nM | 6.11 | Binding affinity was determined against Opioid receptor mu 1 obtained from guine... | 10673107 |
| Mu-type opioid receptor | Ki | = | 770.0 | nM | 6.11 | Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DA... | 12593663 |
| Delta-type opioid receptor | Ki | = | 1800.0 | nM | 5.75 | Binding affinity was determined against Opioid receptor delta 1 obtained from gu... | 10673107 |
| Delta-type opioid receptor | Ki | = | 1800.0 | nM | 5.75 | Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H... | 12593663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593663 | 10.1021/jm020429w | Kappa-type opioid receptor | 2 |
| 10673107 | 10.1016/s0960-894x(99)00670-8 | Mu-type opioid receptor | 1 |
| 10673107 | 10.1016/s0960-894x(99)00670-8 | Delta-type opioid receptor | 1 |
| 10673107 | 10.1016/s0960-894x(99)00670-8 | Kappa-type opioid receptor | 1 |
| 12593663 | 10.1021/jm020429w | Mu-type opioid receptor | 1 |
| 12593663 | 10.1021/jm020429w | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine