Detailed information for compound 769522

Basic information

Technical information
  • TDR Targets ID: 769522
  • Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]-pheny lsulfonylamino]-N-(4-methylphenyl)acetamide
  • MW: 482.903 | Formula: C22H18ClF3N2O3S
  • H donors: 1 H acceptors: 3 LogP: 5.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccccc1)c1cc(ccc1Cl)C(F)(F)F)Nc1ccc(cc1)C
  • InChi: 1S/C22H18ClF3N2O3S/c1-15-7-10-17(11-8-15)27-21(29)14-28(32(30,31)18-5-3-2-4-6-18)20-13-16(22(24,25)26)9-12-19(20)23/h2-13H,14H2,1H3,(H,27,29)
  • InChiKey: USQOBKWYEDHZCD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-chloro-5-(trifluoromethyl)phenyl]-phenylsulfonyl-amino]-N-(4-methylphenyl)acetamide
  • 2-[[2-chloro-5-(trifluoromethyl)phenyl]-phenylsulfonyl-amino]-N-(4-methylphenyl)ethanamide
  • EU-0078889

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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0029 0.0355
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0826 0.1435
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0332 0.0577
Echinococcus granulosus geminin 0.0176 0.3281 1
Schistosoma mansoni glutaminase 0.028 0.5754 1
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0826 0.0227
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0826 0.0227
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0788 0.2401
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0826 0.1435
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0332 0.0577
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0245 0.0427
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0788 0.2401
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0613 0.1868
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0826 0.0227
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0826 0.0227
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0826 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0245 0.0748
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0245 0.0427
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0826 0.1435
Schistosoma mansoni hypothetical protein 0.007 0.0788 0.1369
Toxoplasma gondii ABC1 family protein 0.0072 0.0826 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.0826 0.0227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0245 0.0748
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0029 0.0089
Schistosoma mansoni hypothetical protein 0.0176 0.3281 0.5702
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0029 0.0355
Mycobacterium ulcerans beta-lactamase 0.0072 0.0826 0.1391
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0029 0.0372
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0613 0.1019
Brugia malayi beta-lactamase family protein 0.0072 0.0826 0.1435
Trichomonas vaginalis esterase, putative 0.0072 0.0826 0.1435
Loa Loa (eye worm) hypothetical protein 0.0072 0.0826 0.1435
Brugia malayi Inositol-1 0.0038 0.0029 0.0051
Schistosoma mansoni inositol monophosphatase 0.0038 0.0029 0.0051
Brugia malayi hypothetical protein 0.007 0.0788 0.1369
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0029 0.0355
Schistosoma mansoni alpha-glucosidase 0.0144 0.2525 0.4388
Schistosoma mansoni inositol monophosphatase 0.0038 0.0029 0.0051
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0613 0.1868
Brugia malayi glutaminase DH11.1 0.028 0.5754 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0029 0.0051
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0826 1
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0826 0.1391
Schistosoma mansoni alpha-glucosidase 0.0144 0.2525 0.4388
Mycobacterium tuberculosis Conserved protein 0.0072 0.0826 0.0227
Entamoeba histolytica hypothetical protein 0.007 0.0788 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0826 0.1435
Mycobacterium ulcerans hypothetical protein 0.0072 0.0826 0.1391
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0029 0.0051
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0029 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0826 0.1435
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0245 0.0427
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.3075 0.9373
Leishmania major hypothetical protein, conserved 0.0072 0.0826 1
Mycobacterium ulcerans glutaminase 0.028 0.5754 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0826 0.1391
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0826 0.1435
Loa Loa (eye worm) hypothetical protein 0.0051 0.0332 0.0577
Entamoeba histolytica hypothetical protein 0.007 0.0788 1
Trichomonas vaginalis glutaminase, putative 0.028 0.5754 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0826 0.0227
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0613 0.7424
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0826 0.2516
Loa Loa (eye worm) hypothetical protein 0.0072 0.0826 0.1435
Schistosoma mansoni hypothetical protein 0.0133 0.2272 0.3949
Loa Loa (eye worm) hypothetical protein 0.0072 0.0826 0.1435
Echinococcus granulosus lysosomal alpha glucosidase 0.0167 0.3075 0.9373
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0133 0.2272 0.6926
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0029 0.0051
Echinococcus multilocularis geminin 0.0176 0.3281 1
Entamoeba histolytica hypothetical protein 0.007 0.0788 1
Schistosoma mansoni thyroid hormone receptor 0.0154 0.277 0.4814
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0826 0.1435
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0613 0.1065
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0332 0.0577
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0245 0.0748
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0826 0.0227
Mycobacterium leprae Probable lipase LipE 0.0072 0.0826 0.5
Loa Loa (eye worm) inositol-1 0.0038 0.0029 0.0051
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0245 0.0427
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0245 0.0427
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.3075 0.9373
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0826 0.1435
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0613 0.1019
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0613 0.7424
Brugia malayi beta-lactamase 0.0072 0.0826 0.1435
Mycobacterium ulcerans lipase LipD 0.0072 0.0826 0.1391
Loa Loa (eye worm) beta-lactamase 0.0072 0.0826 0.1435
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0826 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0029 0.0355
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0826 0.1435
Loa Loa (eye worm) glutaminase 2 0.028 0.5754 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0154 0.277 0.8444
Mycobacterium tuberculosis Conserved protein 0.0072 0.0826 0.0227
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0826 0.1435
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0167 0.3075 0.5344
Onchocerca volvulus 0.0097 0.1409 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0826 0.1435
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0613 0.1065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0245 0.0748
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0029 0.0089
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0788 0.1369
Loa Loa (eye worm) hypothetical protein 0.0072 0.0826 0.1435
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0826 0.5
Brugia malayi beta-lactamase family protein 0.0072 0.0826 0.1435
Entamoeba histolytica hypothetical protein 0.007 0.0788 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0826 1
Schistosoma mansoni hypothetical protein 0.0176 0.3281 0.5702
Loa Loa (eye worm) glutaminase 0.028 0.5754 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0826 0.2516
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0826 0.0227
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0029 0.0355
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0133 0.2272 0.6926
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0613 0.1019
Schistosoma mansoni thyroid hormone receptor 0.0154 0.277 0.4814
Brugia malayi Glycosyl hydrolases family 31 protein 0.0167 0.3075 0.5344

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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