Compound Detail
CHEMBL501898
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COc1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c1
Basic Information
| ChEMBL ID | CHEMBL501898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZMOUSIPJJZEEB-KQUDHKOLSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
696.7
MW (Da)
-1.55
ALogP
16
HBA
9
HBD
246.7
PSA (Ų)
0.13
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15730241 | 10.1021/np040142x | Prolyl endopeptidase | 1 |
| 15730241 | 10.1021/np040142x | Xanthine dehydrogenase/oxidase | 1 |
| 15730241 | 10.1021/np040142x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine