Compound Detail
CHEMBL52306
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O=C(O)c1cn(C2CC2)c2cc(N3CCN(CC(P(=O)(O)O)P(=O)(O)O)CC3)c(F)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL52306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUOZBLSEUZMUDA-UHFFFAOYSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
519.4
MW (Da)
0.98
ALogP
7
HBA
5
HBD
180.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014972 | 10.1021/jm0105326 | Staphylococcus aureus | 4 |
| 18834106 | 10.1021/jm801007z | Serum | 2 |
| 12014972 | 10.1021/jm0105326 | Helicobacter pylori | 2 |
| 12014972 | 10.1021/jm0105326 | Pseudomonas aeruginosa | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Entamoeba histolytica | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 18834106 | 10.1021/jm801007z | ADMET | 1 |
| 18834106 | 10.1021/jm801007z | Bone | 1 |
| 18834106 | 10.1021/jm801007z | Staphylococcus aureus | 1 |
| 12014972 | 10.1021/jm0105326 | Aggregatibacter actinomycetemcomitans | 1 |
| 14695831 | 10.1021/jm030084x | Entamoeba histolytica | 1 |
| 12014972 | 10.1021/jm0105326 | NON-PROTEIN TARGET | 1 |
| 12014972 | 10.1021/jm0105326 | Escherichia coli | 1 |
| 12014972 | 10.1021/jm0105326 | Salmonella typhi | 1 |
| 12014972 | 10.1021/jm0105326 | Enterococcus faecalis | 1 |
| 12014972 | 10.1021/jm0105326 | Staphylococcus epidermidis | 1 |
| 14695831 | 10.1021/jm030084x | KB | 1 |
| 14695831 | 10.1021/jm030084x | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine