Detailed information for compound 677508

Basic information

Technical information
  • TDR Targets ID: 677508
  • Name: N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-b enzodioxine-7-sulfonamide
  • MW: 343.758 | Formula: C14H11ClFNO4S
  • H donors: 1 H acceptors: 2 LogP: 2.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1Cl)NS(=O)(=O)c1ccc2c(c1)OCCO2
  • InChi: 1S/C14H11ClFNO4S/c15-11-7-9(1-3-12(11)16)17-22(18,19)10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8,17H,5-6H2
  • InChiKey: KQXNKWPBHPPUIX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloro-4-fluoro-phenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
  • ZINC00315910
  • 2,3-Dihydro-benzo[1,4]dioxine-6-sulfonic acid (3-chloro-4-fluoro-phenyl)-amide
  • BAS 04927110

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
Echinococcus multilocularis Excitatory amino acid transporter 0.114 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0 0.5
Echinococcus granulosus carbonic anhydrase 0.0108 0.0617 0.0617
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0254 0.1947 0.1947
Toxoplasma gondii aldehyde dehydrogenase 0.0129 0.081 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0 0.5
Echinococcus granulosus Excitatory amino acid transporter 0.114 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0129 0.081 0.081
Echinococcus granulosus neutral amino acid transporter A 0.114 1 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.1263 0.1263
Echinococcus granulosus carbonic anhydrase 0.0108 0.0617 0.0617
Echinococcus granulosus Excitatory amino acid transporter 0.114 1 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.114 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.1128 0.1128
Loa Loa (eye worm) hypothetical protein 0.0108 0.0617 0.0617
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.0617 0.0617
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.081 0.081
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.081 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.114 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.029 0.2272 1
Schistosoma mansoni alpha-glucosidase 0.0154 0.1037 0.1037
Echinococcus multilocularis carbonic anhydrase II 0.029 0.2272 0.2272
Echinococcus multilocularis carbonic anhydrase 0.0108 0.0617 0.0617
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.0617 0.0617
Brugia malayi Muscleblind-like protein 0.0164 0.1128 0.1128
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0505 0.4232 0.4232
Echinococcus multilocularis excitatory amino acid transporter 2 0.114 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.081 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0096 0.0096
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.029 0.2272 0.2272
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0 0.5
Echinococcus granulosus excitatory amino acid transporter 3 0.114 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.029 0.2272 0.2272
Echinococcus multilocularis muscleblind protein 0.0164 0.1128 0.1128
Echinococcus granulosus sodium:dicarboxylate symporter 0.114 1 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.114 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.0617 0.0617
Plasmodium falciparum carbonic anhydrase 0.0108 0.0617 0.5
Loa Loa (eye worm) hypothetical protein 0.0108 0.0617 0.0617
Echinococcus granulosus excitatory amino acid transporter 2 0.114 1 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.114 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.114 1 1
Treponema pallidum glutamate transporter 0.0505 0.4232 0.5
Echinococcus multilocularis muscleblind protein 1 0.0164 0.1128 0.1128
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0108 0.0617 0.0617
Echinococcus multilocularis neutral amino acid transporter A 0.114 1 1
Trypanosoma brucei carbonic anhydrase-like protein 0.029 0.2272 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0108 0.0617 0.0617
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.029 0.2272 0.2272
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.081 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0096 0.0096
Brugia malayi follicle stimulating hormone receptor 0.0254 0.1947 0.1947
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.029 0.2272 1
Leishmania major carbonic anhydrase-like protein 0.029 0.2272 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.1263 0.1263
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0505 0.4232 0.4232
Echinococcus granulosus neutral amino acid transporter A 0.114 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0096 0.0096
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0 0.5
Schistosoma mansoni carbonic anhydrase 0.0108 0.0617 0.0617
Echinococcus multilocularis excitatory amino acid transporter 2 0.114 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.029 0.2272 0.2272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0096 0.0096
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0 0.5
Echinococcus granulosus muscleblind protein 0.0164 0.1128 0.1128
Loa Loa (eye worm) excitatory amino acid transporter 0.114 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.1263 0.1263
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0164 0.1128 0.1128
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0 0.5
Chlamydia trachomatis glutamate symporter 0.114 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0 0.5
Echinococcus granulosus carbonic anhydrase 0.0108 0.0617 0.0617
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0 0.5
Onchocerca volvulus Excitatory amino acid transporter homolog 0.114 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0617 0.0617
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0096 0.0096
Toxoplasma gondii hypothetical protein 0.0108 0.0617 0.7624
Schistosoma mansoni hypothetical protein 0.0108 0.0617 0.0617
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0505 0.4232 0.4232
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.1932 0.1221
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.114 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.0617 0.0617
Treponema pallidum glutamate/aspartate transporter 0.0505 0.4232 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.0617 0.0617
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0505 0.4232 0.4232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0096 0.0096
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0129 0.081 0.3563
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0096 0.0096
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0108 0.0617 0.0617
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.114 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0129 0.081 0.081
Echinococcus multilocularis carbonic anhydrase 0.0108 0.0617 0.0617
Echinococcus multilocularis Excitatory amino acid transporter 0.114 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.0617 0.0617
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.1263 0.1263
Brugia malayi MH2 domain containing protein 0.0247 0.1884 0.1884
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.1884 0.1884
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.1263 0.1263
Schistosoma mansoni alpha-glucosidase 0.0154 0.1037 0.1037
Echinococcus granulosus carbonic anhydrase II 0.029 0.2272 0.2272
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.114 1 1
Echinococcus multilocularis carbonic anhydrase 0.0108 0.0617 0.0617
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.029 0.2272 0.2272
Echinococcus granulosus neutral amino acid transporter 0.114 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.1884 0.1884
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.081 0.081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0096 0.0096
Loa Loa (eye worm) carbonic anhydrase 3 0.029 0.2272 0.2272
Echinococcus multilocularis neutral amino acid transporter A 0.114 1 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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