Detailed information for compound 15382

Basic information

Technical information
  • TDR Targets ID: 15382
  • Name: 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-piperazi n-4-ium-1-ylquinoline-3-carboxylate
  • MW: 352.336 | Formula: C16H18F2N4O3
  • H donors: 3 H acceptors: 3 LogP: -0.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNCC1)c(c2N)F
  • InChi: 1S/C16H18F2N4O3/c1-2-21-7-8(16(24)25)15(23)9-12(19)10(17)14(11(18)13(9)21)22-5-3-20-4-6-22/h7,20H,2-6,19H2,1H3,(H,24,25)
  • InChiKey: CRNDXEVHWDPJSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate
  • 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylate
  • 5-azanyl-1-ethyl-6,8-difluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate
  • 5-amino-1-ethyl-6,8-difluoro-4-keto-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate
  • 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
  • 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
  • 5-azanyl-1-ethyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • 5-amino-1-ethyl-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid
  • ZINC00752599
  • 5-amino-1-ethyl-6,8-difluoro-4-keto-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • CBDivE_013754
  • A2107/0088561
  • Oprea1_156929
  • ST073939

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0038 0.0297 0.5
Echinococcus granulosus integrin alpha ps 0.0067 0.093 0.1477
Schistosoma mansoni integrin alpha-ps 0.0073 0.1057 0.1296
Treponema pallidum ATP-dependent RNA helicase 0.0154 0.2827 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0154 0.2827 0.5763
Plasmodium falciparum eukaryotic initiation factor 4A 0.0154 0.2827 1
Echinococcus multilocularis Kelch repeat type 1 0.0095 0.1526 0.2824
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0154 0.2827 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0154 0.2827 0.5
Schistosoma mansoni integrin alpha-ps 0.014 0.2526 0.3736
Loa Loa (eye worm) hypothetical protein 0.0173 0.3233 0.3233
Plasmodium vivax RNA helicase-1, putative 0.0154 0.2827 1
Schistosoma mansoni inositol transporter 0.0146 0.2657 0.3952
Echinococcus multilocularis xaa pro aminopeptidase 0.0038 0.0297 0.0046
Schistosoma mansoni integrin alpha 0.0313 0.6298 1
Echinococcus multilocularis kelch ECH associated protein 1 0.0094 0.1521 0.2811
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0154 0.2827 0.4236
Loa Loa (eye worm) hypothetical protein 0.0073 0.1057 0.1057
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0146 0.2657 0.5378
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0154 0.2827 0.5
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0237 0.4633 0.7234
Brugia malayi Integrin alpha pat-2 precursor 0.0313 0.6298 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0154 0.2827 0.4236
Echinococcus granulosus kelch ECH associated protein 1 like 0.0094 0.1521 0.2811
Schistosoma mansoni hypothetical protein 0.0095 0.1526 0.2075
Echinococcus granulosus sodium:myo inositol cotransporter 0.0146 0.2657 0.5378
Echinococcus granulosus integrin alpha 3 0.024 0.4702 1
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0146 0.2657 0.5378
Brugia malayi eukaryotic initiation factor 4A 0.0154 0.2827 0.4236
Loa Loa (eye worm) hypothetical protein 0.0237 0.4633 0.4633
Echinococcus multilocularis integrin alpha ps 0.014 0.2526 0.5083
Echinococcus granulosus eukaryotic initiation factor 4A 0.0154 0.2827 0.5763
Schistosoma mansoni hypothetical protein 0.0067 0.093 0.1086
Echinococcus granulosus kelch ECH associated protein 1 0.0094 0.1521 0.2811
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0154 0.2827 1
Echinococcus granulosus integrin alpha ps 0.014 0.2526 0.5083
Leishmania major eukaryotic initiation factor 4a, putative 0.0154 0.2827 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0154 0.2827 1
Echinococcus multilocularis integrin alpha ps 0.0067 0.093 0.1477
Echinococcus granulosus kelch ECH associated protein 1 like 0.0094 0.1521 0.2811
Loa Loa (eye worm) hypothetical protein 0.0067 0.093 0.093
Echinococcus multilocularis integrin alpha ps 0.014 0.2526 0.5083
Leishmania major eukaryotic initiation factor 4a, putative 0.0154 0.2827 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.2827 0.2827
Echinococcus granulosus xaa pro aminopeptidase 0.0038 0.0297 0.0046
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0277
Echinococcus granulosus sodium:glucose cotransporter 2 0.0146 0.2657 0.5378
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0154 0.2827 1
Brugia malayi metallopeptidase family M24 containing protein 0.0038 0.0297 0.0034
Echinococcus granulosus solute carrier family 5 0.0146 0.2657 0.5378
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0154 0.2827 0.5763
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0154 0.2827 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0154 0.2827 0.5
Echinococcus multilocularis integrin alpha 3 0.024 0.4702 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0154 0.2827 0.5763
Schistosoma mansoni inositol transporter 0.0146 0.2657 0.3952
Echinococcus multilocularis kelch ECH associated protein 1 0.0094 0.1521 0.2811
Echinococcus multilocularis solute carrier family 5 0.0146 0.2657 0.5378
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0154 0.2827 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0154 0.2827 0.5
Toxoplasma gondii creatinase domain-containing protein 0.0038 0.0297 0.0079
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0277
Echinococcus granulosus sodium:glucose cotransporter 0.0146 0.2657 0.5378
Loa Loa (eye worm) hypothetical protein 0.0246 0.4829 0.4829
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0038 0.0297 0.105
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0154 0.2827 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.1 ug ml-1 Antibacterial activity was determined against gram negative organism, E. coli vogel ChEMBL. 1848296
MIC (functional) = 0.1 ug ml-1 Antibacterial activity was determined against gram negative organism, E. coli vogel ChEMBL. 1848296
MIC (functional) = 0.2 ug ml-1 Antibacterial activity was determined against gram negative organism, E. cloacae MA2646 ChEMBL. 1848296
MIC (functional) = 0.2 ug ml-1 Antibacterial activity was determined against gram negative organism, K. pneumonia MGH-2 ChEMBL. 1848296
MIC (functional) = 0.2 ug ml-1 Antibacterial activity was determined against gram positive organism, S. aureus UC76 ChEMBL. 1848296
MIC (functional) = 0.4 ug ml-1 Antibacterial activity was determined against gram negative organism, P. rettgeri. M1771 ChEMBL. 1848296
MIC (functional) = 0.8 ug ml-1 Antibacterial activity was determined against gram negative organism, P. aeruginosa UI-18 ChEMBL. 1848296
MIC (functional) = 1.6 ug ml-1 Antibacterial activity was determined against gram positive organism, S. auerus H228 ChEMBL. 1848296
MIC (functional) = 1.6 ug ml-1 Antibacterial activity was determined against gram positive organism, S. faecalis MGH-2 ChEMBL. 1848296
MIC (functional) = 1.6 ug ml-1 Antibacterial activity was determined against gram positive organism, S. pneumonia SV-1 ChEMBL. 1848296
MIC (functional) = 2.5 ug ml-1 Minimum inhibitory concentration against E. coli DNA-gyrase in supercoiling assay ChEMBL. 1848296
MIC (functional) = 2.5 ug ml-1 Minimum inhibitory concentration against E. coli DNA-gyrase in supercoiling assay ChEMBL. 1848296
MIC (functional) = 3.1 ug ml-1 Antibacterial activity was determined against gram positive organism, S. pyogenes C203 ChEMBL. 1848296
Ratio (functional) = 0.26 MIC ratio measured as the mean MICs of gram-negative bacteria ChEMBL. 1848296
Ratio (functional) = 1.15 MIC ratio measured as the mean MICs of gram-positive bacteria ChEMBL. 1848296

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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