Detailed information for compound 589254

Basic information

Technical information
  • TDR Targets ID: 589254
  • Name: 1H-pyrrole-2,3,5-tricarboxylic acid
  • MW: 199.118 | Formula: C7H5NO6
  • H donors: 4 H acceptors: 6 LogP: -0.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(c([nH]1)C(=O)O)C(=O)O
  • InChi: 1S/C7H5NO6/c9-5(10)2-1-3(6(11)12)8-4(2)7(13)14/h1,8H,(H,9,10)(H,11,12)(H,13,14)
  • InChiKey: UGSAVTSXHXRENH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • pyrrole-2,3,5-tricarboxylic acid
  • 945-32-4
  • 2,3,5-Ptca

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
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0526 0.0704
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0409 0.0555
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0436 0.0436
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0409 0.053
Toxoplasma gondii ABC1 family protein 0.0035 0.0409 0.2029
Leishmania major fatty acid transporter protein-like protein 0.0358 0.7369 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0196 0.0971
Mycobacterium tuberculosis Conserved protein 0.0035 0.0409 0.0555
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0053 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0409 0.053
Toxoplasma gondii exonuclease III APE 0.0019 0.0053 0.0263
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0526 0.0704
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0053 0.0069
Entamoeba histolytica hypothetical protein 0.0037 0.0436 0.2567
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.258 0.3453
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0053 0.0819
Mycobacterium tuberculosis Conserved protein 0.0035 0.0409 0.0555
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0358 0.7369 1
Echinococcus granulosus smad 0.0025 0.0179 0.0239
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0409 0.0555
Brugia malayi Smad1 0.0025 0.0179 0.0231
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0706 0.0914
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0053 0.101
Loa Loa (eye worm) Smad1 0.0025 0.0179 0.0231
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0053 0.101
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0526 0.0681
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0409 0.0548
Schistosoma mansoni survival motor neuron protein 0.0049 0.0706 0.0706
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0649 0.0869
Loa Loa (eye worm) beta-lactamase 0.0035 0.0409 0.053
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0053 0.0313
Brugia malayi hypothetical protein 0.0037 0.0436 0.0565
Entamoeba histolytica hypothetical protein 0.0037 0.0436 0.2567
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0179 0.0239
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0196 0.3019
Echinococcus granulosus long chain fatty acid transport protein 4 0.0363 0.7471 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1936 0.2627
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1936 0.2627
Brugia malayi MH1 domain containing protein 0.0025 0.0179 0.0231
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0409 0.0409
Plasmodium falciparum thioredoxin reductase 0.0047 0.0649 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.2192 0.2974
Schistosoma mansoni smad1 5 8 and 0.0025 0.0179 0.0179
Brugia malayi hypothetical protein 0.0241 0.4848 0.6276
Schistosoma mansoni Smad4 0.0025 0.0179 0.0179
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0409 0.053
Toxoplasma gondii thioredoxin reductase 0.0047 0.0649 0.3217
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.1699 0.2274
Brugia malayi beta-lactamase family protein 0.0035 0.0409 0.053
Mycobacterium ulcerans hypothetical protein 0.0035 0.0409 0.053
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.2192 0.2974
Schistosoma mansoni FFA transport protein 0.0363 0.7471 0.7471
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0409 0.6307
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0053 0.0072
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0053 0.0819
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0409 0.7782
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0053 0.0071
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0363 0.7471 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.0649 0.084
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0179 0.0239
Schistosoma mansoni smad1 5 8 and 0.0025 0.0179 0.0179
Onchocerca volvulus 0.0035 0.0409 0.58
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0363 0.7471 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0409 0.053
Brugia malayi MH2 domain containing protein 0.0364 0.7487 0.9693
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0053 0.0071
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0363 0.7471 1
Echinococcus multilocularis smad 0.0025 0.0179 0.0239
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0409 0.6307
Brugia malayi Thioredoxin reductase 0.0047 0.0649 0.084
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.2192 0.2974
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1936 0.2627
Plasmodium falciparum glutathione reductase 0.0047 0.0649 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0196 0.0254
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0409 0.0555
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0409 0.0548
Schistosoma mansoni hypothetical protein 0.0039 0.0494 0.0494
Loa Loa (eye worm) MH2 domain-containing protein 0.0364 0.7487 0.9693
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0649 0.084
Onchocerca volvulus 0.0035 0.0409 0.58
Toxoplasma gondii MAPEG family protein 0.011 0.2018 1
Brugia malayi MH2 domain containing protein 0.0025 0.0179 0.0231
Echinococcus multilocularis protein dispatched 1 0.0047 0.0651 0.0871
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0179 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0526 1
Onchocerca volvulus 0.0049 0.0706 1
Schistosoma mansoni hypothetical protein 0.0037 0.0436 0.0436
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0196 0.3019
Echinococcus multilocularis expressed conserved protein 0.0089 0.1574 0.2107
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0053 0.0071
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.4848 0.6489
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0409 0.0555
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0649 0.0881
Mycobacterium ulcerans lipase LipD 0.0035 0.0409 0.053
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0196 0.3019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0526 0.0681
Loa Loa (eye worm) hypothetical protein 0.0035 0.0409 0.053
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0649 0.0869
Brugia malayi hypothetical protein 0.0017 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0095 0.1699 0.2199
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.1699 0.2199
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0526 0.0704
Echinococcus granulosus expressed conserved protein 0.0089 0.1574 0.2107
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0409 0.0548
Loa Loa (eye worm) hypothetical protein 0.0035 0.0409 0.053
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0179 0.0231
Mycobacterium leprae Probable lipase LipE 0.0035 0.0409 0.0555
Schistosoma mansoni hypothetical protein 0.0039 0.0494 0.0494
Onchocerca volvulus 0.0035 0.0409 0.58
Brugia malayi glutathione reductase 0.0047 0.0649 0.084
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0409 0.0555
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0409 0.7782
Schistosoma mansoni hypothetical protein 0.0039 0.0494 0.0494
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1936 0.2627
Trichomonas vaginalis esterase, putative 0.0035 0.0409 0.7782
Echinococcus multilocularis protein patched 0.0041 0.0526 0.0704
Brugia malayi beta-lactamase 0.0035 0.0409 0.053
Schistosoma mansoni microsomal glutathione s-transferase 0.011 0.2018 0.2018
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0053 0.5
Mycobacterium tuberculosis Probable reductase 0.0106 0.1936 0.2627
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0409 0.0548
Brugia malayi beta-lactamase family protein 0.0035 0.0409 0.053
Schistosoma mansoni ap endonuclease 0.0019 0.0053 0.0053
Leishmania major trypanothione reductase 0.0047 0.0649 0.0881
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.1699 0.2274
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0409 0.0555
Schistosoma mansoni ap endonuclease 0.0019 0.0053 0.0053
Brugia malayi CHE-14 protein 0.0041 0.0526 0.0681
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.1936 0.2627
Schistosoma mansoni patched 1 0.0041 0.0526 0.0526
Mycobacterium tuberculosis Conserved protein 0.0035 0.0409 0.0555
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1936 0.2627
Loa Loa (eye worm) hypothetical protein 0.0035 0.0409 0.053
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0358 0.7369 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0649 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0053 0.0819
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0179 0.0239
Loa Loa (eye worm) hypothetical protein 0.0035 0.0409 0.053
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0179 0.0231
Plasmodium vivax glutathione reductase, putative 0.0047 0.0649 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.4848 0.6276
Loa Loa (eye worm) hypothetical protein 0.0035 0.0409 0.053
Echinococcus multilocularis Smad4 0.0025 0.0179 0.0239
Schistosoma mansoni smad1 5 8 and 0.0025 0.0179 0.0179
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.258 0.3453
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0409 0.0555
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0053 0.0072
Leishmania major hypothetical protein, conserved 0.0035 0.0409 0.0555
Echinococcus multilocularis microsomal glutathione S transferase 3 0.011 0.2018 0.27
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0409 0.0555
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0196 0.0262
Loa Loa (eye worm) hypothetical protein 0.005 0.0724 0.0938
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0409 0.7782
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.1699 1
Loa Loa (eye worm) transcription factor SMAD2 0.0364 0.7487 0.9693
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0196 0.0262
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0196 0.3019
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0375 0.7725 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0375 0.7725 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.2192 0.2974
Schistosoma mansoni hypothetical protein 0.0039 0.0494 0.0494
Entamoeba histolytica hypothetical protein 0.0037 0.0436 0.2567
Brugia malayi AMP-binding enzyme family protein 0.0375 0.7725 1
Leishmania major hypothetical protein, conserved 0.0026 0.0196 0.0266
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0053 0.0069
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0053 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0409 0.7782
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.4848 0.6489
Echinococcus granulosus Smad4 0.0025 0.0179 0.0239
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.173 0.173
Schistosoma mansoni smad 0.0025 0.0179 0.0179
Brugia malayi MH1 domain containing protein 0.0025 0.0179 0.0231
Echinococcus granulosus microsomal glutathione S transferase 3 0.011 0.2018 0.27
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0436 0.0584
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0649 0.0869
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0409 0.053
Entamoeba histolytica hypothetical protein 0.0037 0.0436 0.2567
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.4531 0.6149
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0409 0.7782
Brugia malayi MH2 domain containing protein 0.0025 0.0179 0.0231
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0436 0.0584
Brugia malayi hypothetical protein 0.0026 0.0196 0.0254
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0179 0.0239
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0409 0.0409
Trypanosoma brucei trypanothione reductase 0.0047 0.0649 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0053 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0053 0.0071
Schistosoma mansoni hypothetical protein 0.0049 0.0706 0.0706
Loa Loa (eye worm) hypothetical protein 0.0035 0.0409 0.053

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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