Compound Detail
CHEMBL3972934
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Basic Information
| ChEMBL ID | CHEMBL3972934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZOGKPIPCIDKSZ-YLVFBTJISA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
1.92
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.72
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.64 | 7.64 | 23.0 | 2 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.72 | 6.72 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 23.0 | nM | 7.64 | null: The Ki (binding affinity) for u opioid receptors was determined using a co... | - |
| Mu-type opioid receptor | Ki | = | 23.0 | nM | 7.64 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | EC50 | = | 190.0 | nM | 6.72 | Functional Assay (GTPgammaS Binding): The EC50 and Imax for mu opioid receptors ... | - |
| Mu-type opioid receptor | EC50 | = | 190.0 | nM | 6.72 | Functional Assay (GTPgammaS Binding): The EC50 and Imax for μ opioid receptors w... | - |
Data from ChEMBL 36 via Core Engine