Compound Detail
CHEMBL5803638
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Basic Information
| ChEMBL ID | CHEMBL5803638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNEDTCONTIZJRS-CVMIBEPCSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
4.01
ALogP
4
HBA
3
HBD
64.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.85 | 7.61 | 14.0 | 2 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.72 | 7.445 | 19.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.36 | 7.22 | 44.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 14.0 | nM | 7.85 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Kappa-type opioid receptor | Ki | = | 19.0 | nM | 7.72 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Mu-type opioid receptor | Ki | = | 43.0 | nM | 7.37 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Delta-type opioid receptor | Ki | = | 44.0 | nM | 7.36 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Kappa-type opioid receptor | Ki | = | 67.0 | nM | 7.17 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Delta-type opioid receptor | Ki | = | 83.0 | nM | 7.08 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
Data from ChEMBL 36 via Core Engine