Structure

InChI Key TYZROVQLWOKYKF-ZDUSSCGKSA-N
Smiles CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChI
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20FN3O4
Molecular Weight 337.35
AlogP 1.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 71.11
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR DailyMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 5.7
Enzyme Oxidoreductase
- - - - 6.79-76
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aerococcus
- - - - 0-100
Bacillus cereus
- - - - 1.7-100
Bacillus sp.
- - - - 0.7-100
Bacillus subtilis
- - - - 98.87-99.82
Corynebacterium amycolatum
- - - - 0-100
Corynebacterium jeikeium
- - - - 1.7-100
Corynebacterium pseudodiphtheriticum
- - - - 0-100
Corynebacterium sp.
- - - - 2.1-100
Corynebacterium striatum
- - - - 0-100
Enterococcus avium
- - - - 0-100
Enterococcus casseliflavus
- - - - 0-100
Enterococcus durans
- - - - 0-100
Enterococcus gallinarum
- - - - 0-100
Enterococcus hirae
- - - - 0-100
Enterococcus raffinosus
- - - - 0-100
Escherichia coli
- 950-950 - - 99.34-100.15
Homo sapiens
- - - - 5.7-76
Listeria monocytogenes
- - - - 0-100
Micrococcus luteus
- - - - 0-100
Mycobacterium bovis BCG
- - - - 100.59-101.46
Mycobacterium tuberculosis H37Ra
- - - - 84.02-96.58
Pseudomonas aeruginosa
- - - - 99.01-99.9
Rattus norvegicus
- - - - 61.3-70.4
Rothia mucilaginosa
- - - - 0-100
Staphylococcus
- - - - 3-100
Staphylococcus aureus
- 900 - - 0.5-100
Streptococcus
- - - - 0-100
Streptococcus anginosus
- - - - 2.9-100
Streptococcus constellatus
- - - - 1.1-100
Streptococcus equinus
- - - - 0-100
Streptococcus gordonii
- - - - 0-100
Streptococcus intermedius
- - - - 0-100
Streptococcus mitis
- - - - 0.3-100
Streptococcus mutans
- - - - 0-100
Streptococcus oralis
- - - - 0.7-99.3
Streptococcus parasanguinis
- - - - 0-100
Streptococcus salivarius
- - - - 0-100
Streptococcus sanguinis
- - - - 0-100
Streptococcus vestibularis
- - - - 0-100

Related Entries

Environmental Exposure

Countries
India

Cross References

Resources Reference
ChEBI 63607
ChEMBL CHEMBL126
DrugBank DB00601
DrugCentral 1584
FDA SRS ISQ9I6J12J
Human Metabolome Database HMDB0014739
Guide to Pharmacology 10827
KEGG C08146
PDB ZLD
PharmGKB PA450233
PubChem 441401
SureChEMBL SCHEMBL5027
ZINC ZINC000002008866