Compound Detail
CHEMBL193690
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CC(=O)O[C@H]1C[C@@H](C(=O)O)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O
Basic Information
| ChEMBL ID | CHEMBL193690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFOYNIOEQMKAOX-VOVNARLJSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
2.91
ALogP
7
HBA
1
HBD
120.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16945525 | 10.1016/j.bmcl.2006.08.051 | Kappa-type opioid receptor | 3 |
| 16051487 | 10.1016/j.bmcl.2005.06.092 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine