Compound Detail
CHEMBL169587
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Basic Information
| ChEMBL ID | CHEMBL169587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRUWVGMEGYVABH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.21
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 1600.0 | nM | 5.8 | In vitro binding activity against opioid receptor mu using [3H]DAGO) as radiolig... | 1847432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1847432 | 10.1021/jm00106a051 | Rattus norvegicus | 8 |
| 1847432 | 10.1021/jm00106a051 | Mu-type opioid receptor | 1 |
| 1847432 | 10.1021/jm00106a051 | Kappa-type opioid receptor | 1 |
| 1847432 | 10.1021/jm00106a051 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine