Compound Detail
CHEMBL2079638
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Basic Information
| ChEMBL ID | CHEMBL2079638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJZCYMONKQXDLC-XJDOXCRVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
3.76
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.41 | 6.41 | 387.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 5.16 | 5.16 | 6986.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 5.1 | nM | 8.29 | Compound was tested in vitro for binding affinity towards mu opioid receptor by ... | - |
| Delta-type opioid receptor | IC50 | = | 387.0 | nM | 6.41 | Compound was tested in vitro for binding affinity towards delta opioid receptor ... | - |
| Kappa-type opioid receptor | IC50 | = | 6986.0 | nM | 5.16 | Compound was tested in vitro for binding affinity towards kappa opioid receptor ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00190-5 | Rattus norvegicus | 1 |
| - | 10.1016/0960-894X(95)00190-5 | Mu-type opioid receptor | 1 |
| - | 10.1016/0960-894X(95)00190-5 | Kappa-type opioid receptor | 1 |
| - | 10.1016/0960-894X(95)00190-5 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine