Compound Detail
CHEMBL165403
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Basic Information
| ChEMBL ID | CHEMBL165403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCZNDEKFXIUGEN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.15
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 4.48 | nM | 8.35 | Binding affinity to opioid receptors by the displacement of [3H]fentanyl in rat ... | 6268786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6268786 | 10.1021/jm00139a003 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine