Compound Detail
CHEMBL115709
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Basic Information
| ChEMBL ID | CHEMBL115709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUEVKMKGOCCDJU-QPJJXVBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.57
ALogP
4
HBA
0
HBD
56.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.71 | 6.71 | 197.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 197.0 | nM | 6.71 | Binding affinity against mu opiate receptor | 11585444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585444 | 10.1021/jm010878g | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine