Compound Detail
CHEMBL176438
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Basic Information
| ChEMBL ID | CHEMBL176438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHFYORAPFSIOIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
4.52
ALogP
5
HBA
0
HBD
49.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | Ki | 7.86 | 7.86 | 13.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | Ki | = | 13.8 | nM | 7.86 | In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepa... | 2709383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2709383 | 10.1021/jm00125a008 | Mus musculus | 4 |
| 2709383 | 10.1021/jm00125a008 | Opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine