Compound Detail
CHEMBL5776546
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Basic Information
| ChEMBL ID | CHEMBL5776546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHBRQCQDFRIHFL-AWEZNQCLSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
0.09
ALogP
5
HBA
3
HBD
102.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.43 | 7.325 | 3.7 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 3.7 | nM | 8.43 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Mu-type opioid receptor | Ki | = | 240.0 | nM | 6.62 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Delta-type opioid receptor | Ki | = | 450.0 | nM | 6.35 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Kappa-type opioid receptor | Ki | = | 600.0 | nM | 6.22 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
Data from ChEMBL 36 via Core Engine