Compound Detail
CHEMBL4866393
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C[C@H]1[C@@H](OCc2cc(O)cc(CO)n2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL4866393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHJPSCYZOQPQMT-ZYTQYOQBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.00
ALogP
8
HBA
2
HBD
99.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34399390 | 10.1016/j.ejmech.2021.113754 | HeLa | 1 |
| 34399390 | 10.1016/j.ejmech.2021.113754 | K562 | 1 |
| 34399390 | 10.1016/j.ejmech.2021.113754 | HepG2 | 1 |
| 34399390 | 10.1016/j.ejmech.2021.113754 | H322 | 1 |
Data from ChEMBL 36 via Core Engine