Compound Detail
CHEMBL3581418
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
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)[C@H](CC(OC)O[C@H]5C[C@@H](c6ccoc6)C(C)[C@H]54)[C@]1(C)[C@@H]32
Basic Information
| ChEMBL ID | CHEMBL3581418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOZKPYNHVKLJJH-MLACOVEVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
600.8
MW (Da)
5.02
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.37
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 | 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