Compound Detail
CHEMBL493687
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Basic Information
| ChEMBL ID | CHEMBL493687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCWLMTUPFMIZFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.72
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 160.0 | nM | 6.8 | Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells | 18788723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18788723 | 10.1021/jm8008986 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine