Compound Detail
CHEMBL3581421
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CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL3581421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEBMPMSCNHMQNX-GTOBVWRNSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
5.34
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.30
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 | 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