Detailed information for compound 656098

Basic information

Technical information
  • TDR Targets ID: 656098
  • Name: 4-[[5-[(4-carboxyphenyl)carbamoyl]-2-methylph enyl]sulfonylamino]benzoic acid
  • MW: 454.453 | Formula: C22H18N2O7S
  • H donors: 4 H acceptors: 7 LogP: 2.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)O)C)Nc1ccc(cc1)C(=O)O
  • InChi: 1S/C22H18N2O7S/c1-13-2-3-16(20(25)23-17-8-4-14(5-9-17)21(26)27)12-19(13)32(30,31)24-18-10-6-15(7-11-18)22(28)29/h2-12,24H,1H3,(H,23,25)(H,26,27)(H,28,29)
  • InChiKey: LXJCGRKONAVPKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[5-[(4-carboxyphenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid
  • 4-[[5-[[(4-carboxyphenyl)amino]-oxomethyl]-2-methylphenyl]sulfonylamino]benzoic 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
Schistosoma mansoni carbonic anhydrase 0.0466 0.2974 0.3045
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0035
Loa Loa (eye worm) hypothetical protein 0.0466 0.2974 0.4273
Echinococcus granulosus dynactin 5 p25 0.0069 0.0265 0.0253
Chlamydia trachomatis sulfate transporter 0.0032 0.001 0.5
Brugia malayi TAR-binding protein 0.0136 0.0722 0.1065
Entamoeba histolytica ankyrin, putative 0.0069 0.0265 0.0213
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0247 0.0153
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.0705 0.1013
Schistosoma mansoni carbonic anhydrase-related 0.0466 0.2974 0.3045
Plasmodium vivax sulfate transporter, putative 0.0032 0.001 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1023 0.6779 1
Echinococcus granulosus carbonic anhydrase 0.0466 0.2974 0.4307
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0095 0.0035
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0095 0.0288
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0064 0.0001
Loa Loa (eye worm) carbonic anhydrase 3 0.1023 0.6779 0.974
Plasmodium falciparum carbonic anhydrase 0.0466 0.2974 1
Echinococcus granulosus tar DNA binding protein 0.0136 0.0722 0.0938
Mycobacterium ulcerans carbonic anhydrase 0.1429 0.9548 0.9547
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0126
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1023 0.6779 0.7071
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0722 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0722 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0722 0.0663
Loa Loa (eye worm) TAR-binding protein 0.0136 0.0722 0.1037
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0063 0.0078
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0466 0.2974 0.4273
Echinococcus multilocularis tar DNA binding protein 0.0136 0.0722 0.0938
Echinococcus granulosus carbonic anhydrase II 0.1023 0.6779 1
Brugia malayi MH2 domain containing protein 0.0134 0.0705 0.104
Onchocerca volvulus 0.0202 0.1167 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0768 0.5034 0.7912
Mycobacterium leprae Probable transmembrane transport protein 0.0233 0.1381 0.1389
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1023 0.6779 1
Brugia malayi RNA binding protein 0.0136 0.0722 0.1065
Loa Loa (eye worm) hypothetical protein 0.0466 0.2974 0.4273
Trichomonas vaginalis conserved hypothetical protein 0.1495 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0466 0.2974 0.4387
Echinococcus granulosus muscleblind protein 0.0168 0.0935 0.1256
Loa Loa (eye worm) inositol-1 0.0045 0.0095 0.0137
Loa Loa (eye worm) RNA binding protein 0.0136 0.0722 0.1037
Echinococcus granulosus carbonic anhydrase 0.0466 0.2974 0.4307
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.096 0.6346 1
Mycobacterium leprae PROBABLE TRANSFERASE 0.0067 0.0247 0.0193
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0894 0.5894 0.928
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0466 0.2974 0.4387
Brugia malayi Inositol-1 0.0045 0.0095 0.0141
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0069 0.0265 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1023 0.6779 0.7071
Echinococcus multilocularis carbonic anhydrase 0.0466 0.2974 0.4307
Echinococcus multilocularis muscleblind protein 0.0168 0.0935 0.1256
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0067 0.0247 0.0153
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1023 0.6779 0.974
Schistosoma mansoni hypothetical protein 0.0466 0.2974 0.3045
Echinococcus multilocularis carbonic anhydrase II 0.1023 0.6779 1
Mycobacterium ulcerans transferase 0.0067 0.0247 0.0237
Mycobacterium ulcerans hypothetical protein 0.004 0.0063 0.0053
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1023 0.6779 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0935 0.1343
Toxoplasma gondii hypothetical protein 0.0466 0.2974 1
Leishmania major carbonic anhydrase family protein, putative 0.1429 0.9548 1
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0063 0.0078
Brugia malayi Muscleblind-like protein 0.0168 0.0935 0.1379
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0466 0.2974 0.4387
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0126
Echinococcus multilocularis muscleblind protein 1 0.0168 0.0935 0.1256
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0069 0.0265 1
Onchocerca volvulus Putative sulfate transporter 0.0202 0.1167 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.0722 0.1037
Loa Loa (eye worm) hypothetical protein 0.105 0.696 1
Trichomonas vaginalis conserved hypothetical protein 0.1495 1 1
Entamoeba histolytica carbonic anhydrase, putative 0.1429 0.9548 1
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.0722 0.1065
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0069 0.0265 0.0322
Loa Loa (eye worm) hypothetical protein 0.0168 0.0935 0.1343
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1023 0.6779 1
Trypanosoma brucei carbonic anhydrase-like protein 0.1023 0.6779 1
Leishmania major carbonic anhydrase-like protein 0.1023 0.6779 0.7081
Echinococcus granulosus carbonic anhydrase 0.0466 0.2974 0.4307
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0063 0.0078
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0466 0.2974 0.4387
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0233 0.1381 0.2097
Schistosoma mansoni carbonic anhydrase 0.1429 0.9548 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0095 0.0085
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0722 0.0663
Echinococcus multilocularis carbonic anhydrase 0.0466 0.2974 0.4307
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.0705 0.1013
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0722 0.0663
Schistosoma mansoni carbonic anhydrase-related 0.0466 0.2974 0.3045
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0095 0.1624
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1429 0.9548 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0466 0.2974 0.4387
Schistosoma mansoni carbonic anhydrase-related 0.0466 0.2974 0.3045
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0126
Echinococcus multilocularis carbonic anhydrase 0.0466 0.2974 0.4307
Entamoeba histolytica acetyltransferase, putative 0.0069 0.0265 0.0213

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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