Detailed information for compound 1313311

Basic information

Technical information
  • TDR Targets ID: 1313311
  • Name: 4-[(3-hydroxybenzotriazol-5-yl)sulfonylamino] benzoic acid
  • MW: 334.307 | Formula: C13H10N4O5S
  • H donors: 3 H acceptors: 7 LogP: 1.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)n(O)nn2
  • InChi: 1S/C13H10N4O5S/c18-13(19)8-1-3-9(4-2-8)15-23(21,22)10-5-6-11-12(7-10)17(20)16-14-11/h1-7,15,20H,(H,18,19)
  • InChiKey: BSOCZHDAORZBNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(3-hydroxy-5-benzotriazolyl)sulfonylamino]benzoic acid
  • MLS000565990
  • SMR000153103

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone deacetylase 1 0.0228 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0087 0.293 0.293
Echinococcus granulosus histone deacetylase 6 0.0123 0.4709 0.4258
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Echinococcus granulosus peroxidasin 0.0093 0.3241 0.2664
Brugia malayi Histone deacetylase family protein 0.0116 0.4389 0.3911
Trypanosoma cruzi histone deacetylase, putative 0.0116 0.4389 0.4123
Entamoeba histolytica histone deacetylase, putative 0.0228 1 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.1262 0.0517
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0228 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.3241 0.3241
Trichomonas vaginalis histone deacetylase, putative 0.0228 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0116 0.4389 0.4123
Onchocerca volvulus Peroxidasin homolog 0.0093 0.3241 1
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.3241 0.3241
Echinococcus multilocularis histone deacetylase 6 0.0116 0.4389 0.3911
Onchocerca volvulus Dual oxidase homolog 0.0093 0.3241 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0087 0.293 0.2328
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Echinococcus multilocularis histone deacetylase 1 0.0228 1 1
Brugia malayi hypothetical protein 0.0093 0.3241 0.2664
Brugia malayi Peroxidasin 0.0093 0.3241 0.2664
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0228 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0228 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Loa Loa (eye worm) histone deacetylase 7A 0.0116 0.4389 0.4389
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0551 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0786 0.0348
Schistosoma mansoni histone deacetylase 0.0228 1 1
Echinococcus granulosus histone deacetylase 3 0.0228 1 1
Echinococcus multilocularis histone deacetylase 3 0.0228 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0228 1 1
Schistosoma mansoni histone deacetylase 0.0228 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0786 0.5
Echinococcus multilocularis histone deacetylase 8 0.0087 0.293 0.2328
Echinococcus granulosus dna polymerase eta 0.0054 0.1262 0.0517
Loa Loa (eye worm) hypothetical protein 0.0054 0.1262 0.1262
Schistosoma mansoni histone deacetylase 4 5 0.0116 0.4389 0.3911
Trichomonas vaginalis histone deacetylase, putative 0.0228 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0116 0.4389 0.4123
Trypanosoma brucei histone deacetylase, putative 0.0116 0.4389 0.3911
Schistosoma mansoni peroxidasin 0.0093 0.3241 0.2664
Echinococcus granulosus histone deacetylase 7 0.0116 0.4389 0.3911
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Loa Loa (eye worm) blistered cuticle protein 3 0.0093 0.3241 0.3241
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.3241 0.3241
Onchocerca volvulus 0.0093 0.3241 1
Trypanosoma brucei histone deacetylase 1 0.0228 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0786 0.0348
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Loa Loa (eye worm) hypothetical protein 0.0087 0.293 0.293
Plasmodium vivax histone deacetylase, putative 0.0116 0.4389 0.2063
Echinococcus granulosus histone deacetylase 8 0.0087 0.293 0.2328
Brugia malayi Histone deacetylase 1 0.0228 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0228 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0116 0.4389 0.4123
Trypanosoma cruzi histone deacetylase, putative 0.0087 0.293 0.2595
Trichomonas vaginalis histone deacetylase, putative 0.0228 1 1
Leishmania major histone deacetylase, putative 0.0116 0.4389 0.4123
Plasmodium vivax histone deacetylase 1, putative 0.0228 1 1
Loa Loa (eye worm) histone deacetylase 0.0116 0.4389 0.4389
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Trypanosoma cruzi histone deacetylase 1, putative 0.0228 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0228 1 1
Onchocerca volvulus Peroxidase homolog 0.0093 0.3241 1
Echinococcus multilocularis histone deacetylase 6 0.0123 0.4709 0.4258
Trypanosoma brucei histone deacetylase 4 0.0116 0.4389 0.3911
Brugia malayi Animal haem peroxidase family protein 0.0093 0.3241 0.2664
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1262 0.0517
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Echinococcus granulosus histone deacetylase 6 0.0116 0.4389 0.3911
Leishmania major histone deacetylase, putative 0.0228 1 1
Echinococcus granulosus histone deacetylase 6 0.0116 0.4389 0.3911
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1262 0.0847
Loa Loa (eye worm) hypothetical protein 0.0035 0.032 0.032
Brugia malayi Histone deacetylase family protein 0.0116 0.4389 0.3911
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Brugia malayi Animal haem peroxidase family protein 0.0093 0.3241 0.2664
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0786 0.5
Onchocerca volvulus Peroxidase homolog 0.0093 0.3241 1
Echinococcus multilocularis histone deacetylase 0.0116 0.4389 0.3911
Trypanosoma brucei histone deacetylase 2 0.0087 0.293 0.2328
Schistosoma mansoni DNA polymerase eta 0.0054 0.1262 0.0517
Onchocerca volvulus 0.0093 0.3241 1
Onchocerca volvulus Chorion peroxidase homolog 0.0093 0.3241 1
Trichomonas vaginalis histone deacetylase, putative 0.0228 1 1
Brugia malayi histone deacetylase 11 0.0087 0.293 0.2328
Giardia lamblia Histone deacetylase 0.0228 1 0.5
Schistosoma mansoni histone deacetylase hda2 0.0123 0.4709 0.4258
Trypanosoma cruzi histone deacetylase, putative 0.0087 0.293 0.2595
Plasmodium vivax histone deacetylase 2, putative 0.0116 0.4389 0.2063
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0786 0.0348
Trypanosoma brucei histone deacetylase 3 0.0116 0.4389 0.3911
Echinococcus granulosus histone deacetylase 0.0116 0.4389 0.3911
Brugia malayi Animal haem peroxidase family protein 0.0093 0.3241 0.2664
Onchocerca volvulus 0.0093 0.3241 1
Leishmania major histone deacetylase, putative 0.0116 0.4389 0.4123
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0551 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.0228 1 1
Brugia malayi Blistered cuticle protein 3 0.0093 0.3241 0.2664
Trypanosoma cruzi histone deacetylase 1, putative 0.0228 1 1
Toxoplasma gondii histone deacetylase HDAC3 0.0228 1 1
Echinococcus multilocularis peroxidasin 0.0093 0.3241 0.2664
Brugia malayi Animal haem peroxidase family protein 0.0093 0.3241 0.2664
Plasmodium falciparum histone deacetylase 1 0.0228 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0786 0.0348
Onchocerca volvulus Peroxidasin homolog 0.0093 0.3241 1
Schistosoma mansoni histone deacetylase 4 5 0.0116 0.4389 0.3911
Loa Loa (eye worm) inositol-1 0.0045 0.0786 0.0786
Toxoplasma gondii histone deacetylase HDAC5 0.0087 0.293 0.2595
Leishmania major DNA polymerase eta, putative 0.0054 0.1262 0.0847
Echinococcus multilocularis histone deacetylase 7 0.0116 0.4389 0.3911
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.3241 0.3241
Leishmania major histone deacetylase, putative 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Loa Loa (eye worm) histone deacetylase 3 0.0228 1 1
Toxoplasma gondii histone deacetylase HDAC4 0.0087 0.293 0.2595
Loa Loa (eye worm) hypothetical protein 0.0093 0.3241 0.3241
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1262 0.0517
Schistosoma mansoni histone deacetylase hda2 0.0087 0.293 0.2328
Schistosoma mansoni peroxidasin 0.0093 0.3241 0.2664
Echinococcus multilocularis histone deacetylase 6 0.0116 0.4389 0.3911
Brugia malayi Animal haem peroxidase family protein 0.0093 0.3241 0.2664

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

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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