Compound Detail
CHEMBL4207931
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CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]56ON[C@H](CC(=O)[C@]5(C)[C@H]4CC[C@]23C)[C@@H]6O)C1
Basic Information
| ChEMBL ID | CHEMBL4207931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMSJVQBNXNRATQ-OJYADBJHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
2.05
ALogP
8
HBA
4
HBD
125.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28923386 | 10.1016/j.ejmech.2017.09.004 | HeLa | 2 |
| 28923386 | 10.1016/j.ejmech.2017.09.004 | A549 | 2 |
| 28923386 | 10.1016/j.ejmech.2017.09.004 | MCF7 | 2 |
| 28923386 | 10.1016/j.ejmech.2017.09.004 | Vero | 2 |
Data from ChEMBL 36 via Core Engine