Compound Detail
CHEMBL5431772
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc2nccc(OC[C@H]3CC[C@H](NC(=O)c4cc(F)c(Br)c(F)c4)CC3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5431772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOUPSXCQSILYTA-CTYIDZIISA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
506.4
MW (Da)
5.05
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.47
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36753879 | 10.1016/j.ejmech.2023.115160 | Unchecked | 4 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Escherichia coli | 4 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Staphylococcus aureus | 4 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | DNA gyrase | 2 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Topoisomerase IV | 1 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | DNA topoisomerase 2-alpha | 1 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | HepG2 | 1 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Klebsiella pneumoniae | 1 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Pseudomonas aeruginosa | 1 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Enterococcus faecalis | 1 |
| 36753879 | 10.1016/j.ejmech.2023.115160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine