Compound Detail
CHEMBL3581413
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CC(=O)O[C@H]1C[C@H]2[C@@](C)(C(=O)C[C@H]3C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@@]32C)C2=CC[C@@H](c3ccoc3)[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL3581413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDZWZRFKFGLHNZ-JAFNOTQXSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
4.91
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
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 | 10 |
| 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