Compound Detail
CHEMBL4064483
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COc1c(Br)cc([C@H](O)C2=C(c3ccc(O)c(Br)c3)/C(=C/c3cc(Br)c(O)c(Br)c3)OC2=O)cc1Br
Basic Information
| ChEMBL ID | CHEMBL4064483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGRPPERXSPIKFA-KDBLAESLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
810.9
MW (Da)
8.00
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28043797 | 10.1016/j.bmcl.2016.12.016 | Staphylococcus aureus | 8 |
| 28043797 | 10.1016/j.bmcl.2016.12.016 | Escherichia coli | 1 |
| 28043797 | 10.1016/j.bmcl.2016.12.016 | Salmonella typhimurium | 1 |
| 28043797 | 10.1016/j.bmcl.2016.12.016 | Klebsiella pneumoniae | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine