Compound Detail
CHEMBL3228679
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Basic Information
| ChEMBL ID | CHEMBL3228679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVDKMMUEUUNJJU-QWNBFNRZSA-N |
| Parent Compound | CHEMBL3304119 |
| Active Moiety | CHEMBL3304119 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.37
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | EC50 | = | 60.0 | nM | 7.22 | Binding affinity to opioid receptor in rat brain homogenates | 218012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 218012 | 10.1021/jm00189a007 | Mus musculus | 2 |
| 218012 | 10.1021/jm00189a007 | Opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine