Compound Detail
CHEMBL5852351
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5852351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGNYFNPIBZZVQQ-HNNXBMFYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
0.71
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 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.03 | 7.865 | 0.9 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.93 | nM | 9.03 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Mu-type opioid receptor | Ki | = | 18.0 | nM | 7.75 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Delta-type opioid receptor | Ki | = | 150.0 | nM | 6.82 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
| Kappa-type opioid receptor | Ki | = | 200.0 | nM | 6.7 | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... | - |
Data from ChEMBL 36 via Core Engine