Compound Detail
CHEMBL3581415
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C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@H]5O[C@@H](OC)C[C@@H]4[C@]1(C)[C@@H]32
Basic Information
| ChEMBL ID | CHEMBL3581415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDLKVPLICUIRQM-PHHWVVQSSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
5.08
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
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