Compound Detail
CHEMBL5820029
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Basic Information
| ChEMBL ID | CHEMBL5820029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTMVHDZWSFQSQP-MUWBKCKESA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
245.4
MW (Da)
3.11
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Ki 2 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.27 | 9.27 | 0.5 | 2 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.54 | nM | 9.27 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | Ki | = | 0.54 | nM | 9.27 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | IC50 | = | 130.0 | nM | 6.89 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | IC50 | = | 130.0 | nM | 6.89 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
Data from ChEMBL 36 via Core Engine