Detailed information for compound 791048

Basic information

Technical information
  • TDR Targets ID: 791048
  • Name: 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-(3-flu oro-4-methylphenyl)piperidine-3-carboxamide
  • MW: 418.442 | Formula: C19H19FN4O4S
  • H donors: 1 H acceptors: 5 LogP: 2.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)S(=O)(=O)c1cccc2c1non2)Nc1ccc(c(c1)F)C
  • InChi: 1S/C19H19FN4O4S/c1-12-7-8-14(10-15(12)20)21-19(25)13-4-3-9-24(11-13)29(26,27)17-6-2-5-16-18(17)23-28-22-16/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,21,25)
  • InChiKey: VZHMFZKBGVDMML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-(3-fluoro-4-methyl-phenyl)piperidine-3-carboxamide
  • 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)-3-piperidinecarboxamide
  • 1-benzofurazan-4-ylsulfonyl-N-(3-fluoro-4-methyl-phenyl)nipecotamide
  • EU-0024812

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
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1553 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0089 0.0089
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0045 0.0089 0.0105
Echinococcus granulosus sodium and chloride dependent glycine 0.0045 0.0089 0.0089
Treponema pallidum sodium- and chloride- dependent transporter 0.0263 0.4713 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0041 0.0041
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1553 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.4713 0.4713
Plasmodium falciparum transporter, putative 0.0045 0.0089 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0114 0.1553 1
Trypanosoma brucei glucosidase, putative 0.0114 0.1553 1
Onchocerca volvulus 0.0263 0.4713 0.8682
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1553 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1553 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0045 0.0089 0.0105
Schistosoma mansoni alpha-glucosidase 0.0442 0.8488 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0045 0.0089 0.0089
Toxoplasma gondii hypothetical protein 0.0045 0.0089 0.0574
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0045 0.0089 0.0089
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0041 0.0263
Plasmodium vivax amine transporter, putative 0.0045 0.0089 1
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1553 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0045 0.0089 0.0089
Loa Loa (eye worm) serotonin transporter b 0.0263 0.4713 0.4713
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0574
Loa Loa (eye worm) hypothetical protein 0.0045 0.0089 0.0089
Onchocerca volvulus 0.0297 0.5423 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.4713 0.4713
Schistosoma mansoni sodium/chloride dependent transporter 0.0045 0.0089 0.0105
Echinococcus multilocularis neuropeptide receptor A26 0.0477 0.9238 0.9238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1176 0.1386
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0042 0.0041 0.0263
Toxoplasma gondii hypothetical protein 0.0045 0.0089 0.0574
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.1176 0.1176
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0089 0.0089
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0045 0.0089 0.0105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1176 0.1386
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0045 0.0089 0.0089
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0041 0.0263
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0041 0.0263
Plasmodium falciparum amino acid transporter, putative 0.0045 0.0089 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0513 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0089 0.0089
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0045 0.0089 0.0089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.1176 0.1176
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0045 0.0089 0.0105
Loa Loa (eye worm) norepinephrine transporter 0.0263 0.4713 0.4713
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0263 0.4713 0.4713
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0045 0.0089 0.0089
Echinococcus multilocularis sodium and chloride dependent glycine 0.0045 0.0089 0.0089
Leishmania major glycosyl hydrolase-like protein 0.0042 0.0041 0.0263
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1553 1
Onchocerca volvulus 0.0045 0.0089 0.009
Echinococcus granulosus neuropeptide receptor A26 0.0477 0.9238 0.9238
Echinococcus granulosus neutral alpha glucosidase AB 0.0114 0.1553 0.1553
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0042 0.0041 0.0263
Loa Loa (eye worm) hypothetical protein 0.0263 0.4713 0.4713
Schistosoma mansoni alpha glucosidase 0.0114 0.1553 0.1829
Echinococcus granulosus neuropeptide s receptor 0.0477 0.9238 0.9238
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0089 1
Echinococcus multilocularis neuropeptide s receptor 0.0477 0.9238 0.9238
Echinococcus multilocularis sodium and chloride dependent glycine 0.0045 0.0089 0.0089
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0045 0.0089 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0041 0.0263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.1176 0.1176
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0114 0.1553 0.1553
Schistosoma mansoni alpha-glucosidase 0.0442 0.8488 1
Brugia malayi hypothetical protein 0.0045 0.0089 0.0089
Trichomonas vaginalis sucrase-isomaltase, putative 0.0114 0.1553 1
Onchocerca volvulus 0.0045 0.0089 0.009
Schistosoma mansoni sodium-dependent amino acid transporter 0.0045 0.0089 0.0105
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0089
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0442 0.0442
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0114 0.1553 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0114 0.1553 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0442 0.2847
Echinococcus multilocularis neutral alpha glucosidase AB 0.0114 0.1553 0.1553
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.1176 0.1176
Leishmania major alpha glucosidase II subunit, putative 0.0114 0.1553 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0263 0.4713 0.5553
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0114 0.1553 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0513 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0089
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.0041 0.0263
Onchocerca volvulus 0.0045 0.0089 0.009
Loa Loa (eye worm) hypothetical protein 0.0045 0.0089 0.0089
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0045 0.0089 0.0105
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0041 0.0263
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1553 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.1176 0.1176
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1176 0.1386
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0114 0.1553 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0089 0.0089
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0574
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0089
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.1176 0.1176
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0513 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0442 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0089
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0442 0.2847
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0045 0.0089 0.0089
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0263 0.4713 0.5553
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0045 0.0089 0.0089
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0442 0.0521
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0045 0.0089 0.0089
Echinococcus multilocularis lysosomal alpha glucosidase 0.0513 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0442 0.0521
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0041 0.0263
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0041 0.0263
Trypanosoma brucei glycosyl hydrolase-like protein 0.0042 0.0041 0.0263
Brugia malayi Glycosyl hydrolases family 31 protein 0.0114 0.1553 0.1553
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0114 0.1553 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0045 0.0089 0.0105
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0442 0.0442
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0045 0.0089 0.0105
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0045 0.0089 0.0089
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0442 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0045 0.0089 0.0574
Schistosoma mansoni sodium/chloride dependent transporter 0.0045 0.0089 0.0105
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0045 0.0089 0.0105
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0041 0.0263
Echinococcus multilocularis serotonin transporter 0.0263 0.4713 0.4713
Loa Loa (eye worm) solute carrier family 6 member 4 0.0263 0.4713 0.4713
Echinococcus granulosus serotonin transporter 0.0263 0.4713 0.4713
Loa Loa (eye worm) hypothetical protein 0.0042 0.0041 0.0041

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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