Detailed information for compound 773560

Basic information

Technical information
  • TDR Targets ID: 773560
  • Name: 3-[(2-carboxyphenyl)sulfamoyl]benzoic acid
  • MW: 321.305 | Formula: C14H11NO6S
  • H donors: 3 H acceptors: 6 LogP: 2.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1C(=O)O
  • InChi: 1S/C14H11NO6S/c16-13(17)9-4-3-5-10(8-9)22(20,21)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
  • InChiKey: HTKMBGILVAXNDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STK229867

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
Loa Loa (eye worm) hypothetical protein 0.0067 0.1615 0.3392
Echinococcus granulosus muscleblind protein 0.0147 0.4066 0.8939
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.4548 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.043 0.0292
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.034 1 1
Schistosoma mansoni cpg binding protein 0.0062 0.1456 0.3661
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.011 0.0241
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0661 0.534
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.257 0.555
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.1058 0.0928
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0453 0.1102
Entamoeba histolytica hypothetical protein 0.0037 0.0681 0.7882
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0507 0.091
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0453 0.0316
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.0825 0.2075
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0124 0.3373 0.8478
Brugia malayi hypothetical protein 0.0037 0.0681 0.13
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.1114 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.0825 0.1612
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.1022 0.0892
Schistosoma mansoni hypothetical protein 0.0031 0.0507 0.1275
Brugia malayi hypothetical protein 0.0154 0.4291 0.9421
Brugia malayi Muscleblind-like protein 0.0147 0.4066 0.8915
Schistosoma mansoni hypothetical protein 0.0022 0.0228 0.0572
Trypanosoma brucei glucosidase, putative 0.0036 0.0661 0.0526
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1114 0.2449
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.1058 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0661 0.534
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.3978 0.8716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3978 1
Entamoeba histolytica hypothetical protein 0.0037 0.0681 0.7882
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0142 0.0073
Loa Loa (eye worm) hypothetical protein 0.0098 0.257 0.5542
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0453 0.34
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0228 0.05
Giardia lamblia DINP protein human, muc B family 0.0041 0.0825 0.703
Echinococcus multilocularis tar DNA binding protein 0.0132 0.3611 0.794
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0825 0.1626
Loa Loa (eye worm) hypothetical protein 0.0147 0.4066 0.8913
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1114 0.2449
Echinococcus granulosus dna polymerase kappa 0.0041 0.0825 0.1815
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0661 0.534
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.4497 0.4418
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0453 0.0774
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0825 0.139
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1114 0.28
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0228 0.05
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3611 0.9077
Echinococcus granulosus cpg binding protein 0.0062 0.1456 0.3202
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1114 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.4548 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0507 0.0895
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3611 0.9077
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1114 0.0986
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.1022 0.0892
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1114 0.0986
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1114 0.2449
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3611 0.9077
Toxoplasma gondii hypothetical protein 0.0055 0.1238 0.3881
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.1058 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1058 0.2135
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.4548 1
Schistosoma mansoni ap endonuclease 0.0019 0.0142 0.0358
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0.5056 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3611 0.9077
Schistosoma mansoni DNA polymerase eta 0.0041 0.0825 0.2075
Schistosoma mansoni hypothetical protein 0.0037 0.0681 0.1711
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0661 0.1454
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3978 1
Leishmania major hypothetical protein, conserved 0.0049 0.1058 0.0928
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.4548 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.257 0.555
Echinococcus granulosus flap endonuclease 1 0.0029 0.0453 0.0997
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0507 0.1115
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0507 0.1115
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0142 0.0313
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Brugia malayi hypothetical protein 0.0032 0.0524 0.0948
Leishmania major DNA polymerase eta, putative 0.0041 0.0825 0.0693
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1114 0.0986
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0825 0.1815
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0142 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0661 0.1256
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.1058 0.0928
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0661 0.534
Schistosoma mansoni cpg binding protein 0.0059 0.1354 0.3402
Trypanosoma brucei protein kinase, putative 0.0051 0.1114 0.0986
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.3611 0.7889
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.0825 0.0693
Loa Loa (eye worm) hypothetical protein 0.0041 0.0825 0.1612
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3611 0.9077
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.011 0.0241
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.1058 0.0928
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1114 0.0986
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0681 0.1711
Schistosoma mansoni cpg binding protein 0.0062 0.1456 0.3661
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0661 0.534
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0453 0.0997
Onchocerca volvulus 0.0094 0.2442 0.3706
Brugia malayi Flap endonuclease-1 0.0029 0.0453 0.0789
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.3978 0.8718
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0661 0.0526
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.3978 0.8747
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3978 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0161 0.4497 0.4418
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0661 0.1242
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0825 0.703
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1114 0.2262
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0453 0.0316
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0507 0.1115
Loa Loa (eye worm) hypothetical protein 0.0154 0.4291 0.942
Entamoeba histolytica hypothetical protein 0.0037 0.0681 0.7882
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.257 0.5542
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0142 0.0313
Plasmodium falciparum flap endonuclease 1 0.0029 0.0453 0.34
Schistosoma mansoni hypothetical protein 0.0067 0.1615 0.406
Brugia malayi MAP kinase sur-1 0.0051 0.1114 0.2275
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.4548 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1114 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0453 0.3203
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.1022 0.0892
Entamoeba histolytica deoxycytidyl transferase, putative 0.0041 0.0825 1
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.1058 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0661 0.534
Trypanosoma brucei unspecified product 0.0029 0.043 0.0292
Schistosoma mansoni alpha glucosidase 0.0036 0.0661 0.1662
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0681 0.1497
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0453 0.3203
Schistosoma mansoni alpha-glucosidase 0.014 0.3852 0.9684
Echinococcus multilocularis dna polymerase eta 0.0041 0.0825 0.1815
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0142 0.5
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0453 0.0316
Brugia malayi RNA binding protein 0.0132 0.3611 0.7892
Mycobacterium ulcerans hypothetical protein 0.0179 0.5056 1
Echinococcus multilocularis muscleblind protein 0.0147 0.4066 0.8939
Loa Loa (eye worm) RNA binding protein 0.0132 0.3611 0.7889
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.0825 0.1815
Trypanosoma brucei unspecified product 0.0029 0.043 0.0292
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0661 0.1454
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.4497 0.4418
Schistosoma mansoni alpha-glucosidase 0.014 0.3852 0.9684
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0142 0.0089
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1114 0.3442
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1114 0.2449
Brugia malayi CXXC zinc finger family protein 0.0059 0.1354 0.2814
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1114 0.0986
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Echinococcus multilocularis cpg binding protein 0.0062 0.1456 0.3202
Leishmania major DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0681 0.1497
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.0825 0.2075
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.0825 0.0693
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.3978 0.8747
Echinococcus granulosus tar DNA binding protein 0.0132 0.3611 0.794
Echinococcus granulosus GPCR family 2 0.0031 0.0507 0.1115
Onchocerca volvulus 0.0154 0.4291 1
Schistosoma mansoni hypothetical protein 0.0031 0.0507 0.1275
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0661 0.534
Schistosoma mansoni hypothetical protein 0.0031 0.0507 0.1275
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0661 0.7596
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Brugia malayi hypothetical protein 0.0049 0.1058 0.2148
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1615 0.3402
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1114 0.0986
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0661 0.7596
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.034 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0825 0.139
Echinococcus multilocularis GPCR, family 2 0.0031 0.0507 0.1115
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1114 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0661 0.0526
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0661 0.534
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1114 1
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.1058 0.3243
Schistosoma mansoni hypothetical protein 0.0031 0.0507 0.1275
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.3978 0.8747
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.1022 0.0892
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0507 0.091
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.0825 0.1815
Loa Loa (eye worm) TAR-binding protein 0.0132 0.3611 0.7889
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0661 0.534
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0825 0.0693
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0661 0.0526
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0825 0.0693
Entamoeba histolytica hypothetical protein 0.0037 0.0681 0.7882
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.043 0.0292
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0825 0.1626
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.1354 0.2802
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1114 0.0986
Schistosoma mansoni flap endonuclease-1 0.0027 0.0367 0.0922
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.1343 0.1218
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.3978 0.8747
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0825 0.0693
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0661 0.1838
Brugia malayi TAR-binding protein 0.0132 0.3611 0.7892
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0507 0.1115
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Echinococcus granulosus dna polymerase eta 0.0041 0.0825 0.1815
Loa Loa (eye worm) hypothetical protein 0.0147 0.4066 0.8913
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.043 0.0292
Schistosoma mansoni ap endonuclease 0.0019 0.0142 0.0358
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0041 0.0825 0.139
Toxoplasma gondii histone lysine methyltransferase SET1 0.0111 0.2965 1
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0825 0.0693
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0507 0.0895
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0825 0.703
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0825 0.0693
Trypanosoma brucei unspecified product 0.0041 0.0825 0.0693
Entamoeba histolytica Flap nuclease, putative 0.0029 0.0453 0.4556
Trypanosoma brucei mitochondrial DNA polymerase beta 0.034 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0825 0.139
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.3611 0.7892
Echinococcus multilocularis muscleblind protein 1 0.0147 0.4066 0.8939

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as pyruvate production after 10 mins by microplate reader analysis ChEMBL. 25282647
IC50 (binding) Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry ChEMBL. 25282647
IC50 (binding) = 170 uM Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance of chorismate by stopped-flow analysis ChEMBL. 25282647

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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