Compound Detail
CHEMBL4632741
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COC(=O)C1=C(c2cc(Br)c(O)c(Br)c2)[C@](OC)(c2cc(Br)c(O)c(Br)c2)O[C@@]1(C(=O)OC)c1cc(Br)c(O)c(Br)c1
Basic Information
| ChEMBL ID | CHEMBL4632741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJKPMSMKXJAWAW-SVBPBHIXSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
965.9
MW (Da)
7.90
ALogP
9
HBA
3
HBD
131.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Staphylococcus aureus | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Enterococcus faecalis | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Enterococcus faecium | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Salmonella enterica | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Proteus hauseri | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Klebsiella pneumoniae | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Sortase A | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | Isocitrate lyase | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | K562 | 1 |
| 31967465 | 10.1021/acs.jnatprod.9b00968 | A549 | 1 |
Data from ChEMBL 36 via Core Engine