Detailed information for compound 84680

Basic information

Technical information
  • TDR Targets ID: 84680
  • Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-flu oro-4-oxo-7-piperazin-1-ylquinoline-3-carboxy lic acid
  • MW: 452.814 | Formula: C20H16ClF3N4O3
  • H donors: 3 H acceptors: 3 LogP: 0.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc2c(=O)c(cn(c2c(c1N1CCNCC1)Cl)c1cc(N)c(cc1F)F)C(=O)O
  • InChi: 1S/C20H16ClF3N4O3/c21-16-17-9(5-13(24)18(16)27-3-1-26-2-4-27)19(29)10(20(30)31)8-28(17)15-7-14(25)11(22)6-12(15)23/h5-8,26H,1-4,25H2,(H,30,31)
  • InChiKey: VXHULUWRKUZHFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
  • 1-(5-azanyl-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid
  • 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-keto-7-piperazin-1-yl-quinoline-3-carboxylic acid

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
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Brugia malayi beta-lactamase family protein 0.0035 0.045 0.1359
Loa Loa (eye worm) sugar transporter 0.011 0.2965 0.2965
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.045 0.1517
Loa Loa (eye worm) hypothetical protein 0.0035 0.045 0.045
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0075 0.0254
Echinococcus multilocularis importin subunit beta 1 0.003 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0035 0.045 0.045
Leishmania major hypothetical protein, conserved 0.0035 0.045 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.045 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0772 0.0772
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0772 0.0772
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0409 0.9088
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0409 0.1378
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0409 0.1378
Mycobacterium ulcerans beta-lactamase 0.0035 0.045 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.045 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Echinococcus granulosus General substrate transporter 0.0095 0.2444 0.2444
Entamoeba histolytica hypothetical protein 0.0024 0.0075 1
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0409 0.9088
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2965 0.2965
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2965 0.2965
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0772 0.0772
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.045 0.1517
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Loa Loa (eye worm) hypothetical protein 0.0035 0.045 0.045
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.011 0.2965 0.2965
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.011 0.2965 0.2965
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0266 0.5907
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0772 0.0772
Mycobacterium leprae Probable lipase LipE 0.0035 0.045 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0409 0.1378
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0075 0.1676
Loa Loa (eye worm) hypothetical protein 0.0035 0.045 0.045
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.045 0.045
Plasmodium vivax hypothetical protein, conserved 0.0035 0.045 0.1517
Toxoplasma gondii facilitative glucose transporter GT1 0.011 0.2965 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.3309 0.3309
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.0409 0.9088
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.045 1
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0409 0.1378
Loa Loa (eye worm) hypothetical protein 0.0035 0.045 0.045
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0266 0.0896
Echinococcus multilocularis snurportin 1 0.032 1 1
Leishmania major glucose transporter, lmgt1 0.0034 0.0409 0.9088
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.045 0.1517
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0907 0.2742
Onchocerca volvulus Huntingtin homolog 0.0121 0.3309 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.011 0.2965 0.2965
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.045 1
Schistosoma mansoni glucose transport protein 0.011 0.2965 0.2965
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0386 0.1166
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0409 0.1378
Brugia malayi RNA, U transporter 1 0.0085 0.2121 0.6408
Echinococcus granulosus importin subunit beta 1 0.003 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0035 0.045 0.045
Brugia malayi beta-lactamase family protein 0.0035 0.045 0.1359
Brugia malayi hypothetical protein 0.0121 0.3309 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0772 0.2332
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0409 0.9088
Trypanosoma cruzi hexose transporter 0.0034 0.0409 0.9088
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.6863 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0075 0.0254
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.045 0.045
Toxoplasma gondii ABC1 family protein 0.0035 0.045 0.1517
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0266 0.5907
Brugia malayi Importin beta-1 subunit 0.003 0.0266 0.0803
Mycobacterium ulcerans lipase LipD 0.0035 0.045 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0772 0.0772
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.045 0.045
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0075 0.0254
Trichomonas vaginalis conserved hypothetical protein 0.011 0.2965 1
Plasmodium vivax hexose transporter 0.011 0.2965 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0386 0.0386
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.011 0.2965 0.2965
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.045 0.045
Leishmania major importin beta-1 subunit, putative 0.0024 0.0075 0.1676
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0409 0.9088
Mycobacterium leprae conserved hypothetical protein 0.0035 0.045 0.5
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Brugia malayi Sugar transporter family protein 0.011 0.2965 0.8959
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2965 0.2965
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.045 0.045
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.045 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0907 0.0907
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0409 0.9088
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.045 0.1517
Plasmodium vivax importin-beta 2, putative 0.003 0.0266 0.0896
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0409 0.1378
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.045 0.1359
Schistosoma mansoni hypothetical protein 0.032 1 1
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0409 0.9088
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0 0.5
Schistosoma mansoni glucose transport protein 0.011 0.2965 0.2965
Onchocerca volvulus Huntingtin homolog 0.0121 0.3309 1
Schistosoma mansoni glucose transport protein 0.011 0.2965 0.2965
Mycobacterium ulcerans hypothetical protein 0.0035 0.045 0.5
Trypanosoma brucei glucose transporter 1E 0.0034 0.0409 0.9088
Leishmania major glucose transporter, lmgt3 0.0034 0.0409 0.9088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0772 0.0772
Plasmodium falciparum importin beta, putative 0.003 0.0266 0.0896
Schistosoma mansoni hypothetical protein 0.0034 0.0386 0.0386
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.032 1 1
Trichomonas vaginalis esterase, putative 0.0035 0.045 0.1517
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0772 0.0772
Loa Loa (eye worm) beta-lactamase 0.0035 0.045 0.045
Brugia malayi beta-lactamase 0.0035 0.045 0.1359
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2965 0.2965
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0907 0.2742
Schistosoma mansoni importin beta-1 0.003 0.0266 0.0266
Trypanosoma brucei glucose transporter 2A 0.0034 0.0409 0.9088
Echinococcus multilocularis General substrate transporter 0.0095 0.2444 0.2444
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.045 0.1517
Loa Loa (eye worm) hypothetical protein 0.0121 0.3309 0.3309
Plasmodium falciparum hexose transporter 0.011 0.2965 1
Leishmania major glucose transporter, lmgt2 0.0034 0.0409 0.9088
Loa Loa (eye worm) hypothetical protein 0.003 0.0266 0.0266
Schistosoma mansoni hypothetical protein 0.011 0.2965 0.2965
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0409 0.1378
Trypanosoma brucei glucose transporter, putative 0.0034 0.0409 0.9088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0772 0.0772
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0907 0.0907

Activities

Activity type Activity value Assay description Source Reference
GM-MIC (functional) = 0.52 ug ml-1 In vitro antibacterial activity against Gram (-) bacteria ChEMBL. 12723953
GM-MIC (functional) = 1.61 ug ml-1 Tested for in vitro antibacterial activity against Gram (+) bacteria ChEMBL. 12723953

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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