Compound Detail
CHEMBL5886165
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Basic Information
| ChEMBL ID | CHEMBL5886165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USUBALPLEUZHID-PRSFTHDCSA-N |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.71
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Ki 3 meas. best 9.72
EC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.72 | 9.72 | 0.2 | 3 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.64 | 8.64 | 2.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 7.85 | 7.85 | 14.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.19 | nM | 9.72 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | Ki | = | 0.19 | nM | 9.72 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | Ki | = | 0.19 | nM | 9.72 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | EC50 | = | 2.3 | nM | 8.64 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | IC50 | = | 14.0 | nM | 7.85 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | IC50 | = | 14.0 | nM | 7.85 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | IC50 | = | 14.0 | nM | 7.85 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
Data from ChEMBL 36 via Core Engine