Compound Detail
CHEMBL3581412
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CC(=O)O[C@@H]1[C@@H]2[C@@]3(C)[C@@H](OC(C)=O)CC(=O)OC(C)(C)[C@@H]3CC(=O)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]3(C)[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL3581412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJVXBOYDHCOCQI-ULEHYZKJSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
600.7
MW (Da)
3.66
ALogP
11
HBA
0
HBD
147.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25798528 | 10.1021/np501057f | Tobacco mosaic virus | 11 |
| 25798528 | 10.1021/np501057f | HL-60 | 1 |
| 25798528 | 10.1021/np501057f | SMMC-7721 | 1 |
| 25798528 | 10.1021/np501057f | A549 | 1 |
| 25798528 | 10.1021/np501057f | MCF7 | 1 |
| 25798528 | 10.1021/np501057f | SW480 | 1 |
Data from ChEMBL 36 via Core Engine