Compound Detail
CHEMBL4456635
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Basic Information
| ChEMBL ID | CHEMBL4456635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZHNIIDRYCZLRJ-NRFANRHFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.6
MW (Da)
3.92
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.28 | 7.28 | 52.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 52.41 | nM | 7.28 | Inhibition of mu opioid receptor (unknown origin) expressed in HEK293 cells asse... | 31550662 |
| Mu-type opioid receptor | EC50 | = | 52.41 | nM | 7.28 | Inhibition of mu opioid receptor (unknown origin) expressed in HEK293 cells asse... | 31550662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31550662 | 10.1016/j.ejmech.2019.111701 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine