Compound Detail
CHEMBL3581420
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COC(=O)C[C@@H]1C(C)=C/C(=C\C2=C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C2=CC[C@H]3c2ccoc2)C(=O)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL3581420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFWNNGNACXIOHB-KXZRYAJGSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
4.89
ALogP
9
HBA
0
HBD
118.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
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 | 4 |
| 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