Compound Detail
CHEMBL3589821
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COc1ccc(-c2oc3c(CC=C(C)C)c(OCC(=O)O)cc(O)c3c(=O)c2OCC(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL3589821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWGALLFKUATTED-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
3.61
ALogP
8
HBA
3
HBD
152.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26079090 | 10.1016/j.ejmech.2015.06.006 | NON-PROTEIN TARGET | 1 |
| 26079090 | 10.1016/j.ejmech.2015.06.006 | MCF7 | 1 |
| 26079090 | 10.1016/j.ejmech.2015.06.006 | A549 | 1 |
| 26079090 | 10.1016/j.ejmech.2015.06.006 | Vero | 1 |
Data from ChEMBL 36 via Core Engine