Compound Detail
CHEMBL5170233
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C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)OCc3ccccn3)C[C@H]2[C@H](O)/C=C/C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL5170233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHKFHZKJOXQFED-ZUQTUGTCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.72
ALogP
7
HBA
1
HBD
95.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36089748 | 10.1021/acs.jmedchem.2c00532 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine