Compound Detail
CHEMBL4067288
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CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c2[C@@](O)(COC3=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL4067288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNYVZQRDRWHPNZ-OQLOXQSHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
1.28
ALogP
11
HBA
3
HBD
173.7
PSA (Ų)
0.36
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27966935 | 10.1021/acs.jnatprod.6b00458 | Staphylococcus aureus | 1 |
| 27966935 | 10.1021/acs.jnatprod.6b00458 | Staphylococcus haemolyticus | 1 |
| 27966935 | 10.1021/acs.jnatprod.6b00458 | Enterococcus faecalis | 1 |
| 27966935 | 10.1021/acs.jnatprod.6b00458 | Escherichia coli | 1 |
| 27966935 | 10.1021/acs.jnatprod.6b00458 | HeLa | 1 |
| 39033406 | 10.1021/acs.jnatprod.4c00330 | B-cell line | 1 |
| 39033406 | 10.1021/acs.jnatprod.4c00330 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine