Compound Detail
CHEMBL4526998
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Basic Information
| ChEMBL ID | CHEMBL4526998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXGSQUNMZMHPKS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.11
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.01 | 7.01 | 97.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 97.7 | nM | 7.01 | Displacement of [3H]DAMGO from rat brain mu opioid receptor incubated for 60 min... | 31391893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31391893 | 10.1039/C9MD00222G | Sigma non-opioid intracellular receptor 1 | 2 |
| 31391893 | 10.1039/C9MD00222G | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine