Detailed information for compound 817045

Basic information

Technical information
  • TDR Targets ID: 817045
  • Name: 2-[(4-ethoxycarbonylfuran-3-carbonyl)amino]be nzoic acid
  • MW: 303.267 | Formula: C15H13NO6
  • H donors: 2 H acceptors: 4 LogP: 2.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cocc1C(=O)Nc1ccccc1C(=O)O
  • InChi: 1S/C15H13NO6/c1-2-22-15(20)11-8-21-7-10(11)13(17)16-12-6-4-3-5-9(12)14(18)19/h3-8H,2H2,1H3,(H,16,17)(H,18,19)
  • InChiKey: UXEOVCOYYSBHCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(4-ethoxycarbonyl-3-furyl)-oxomethyl]amino]benzoic acid
  • 2-[(4-carbethoxyfuran-3-carbonyl)amino]benzoic acid
  • 2-[(4-ethoxycarbonylfuran-3-yl)carbonylamino]benzoic acid
  • BIM-0007863.P001
  • CBMicro_007869
  • 4-(2-Carboxy-phenylcarbamoyl)-furan-3-carboxylic acid ethyl ester
  • BAS 00729338
  • Oprea1_479166

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
Brugia malayi Pre-SET motif family protein 0.0203 0.2865 0.4153
Brugia malayi RNA recognition motif domain containing protein 0.0186 0.2603 0.3774
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Brugia malayi MH2 domain containing protein 0.0469 0.6897 1
Brugia malayi RNA binding protein 0.0186 0.2603 0.3774
Echinococcus granulosus geminin 0.0164 0.2267 0.2267
Schistosoma mansoni flap endonuclease-1 0.0023 0.0132 0.0132
Echinococcus multilocularis lamin dm0 0.0027 0.0191 0.0191
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1161 0.1684
Echinococcus multilocularis lamin 0.0027 0.0191 0.0191
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.0486 0.0486
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1161 0.1684
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.01 0.1302 0.1888
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1161 0.1161
Echinococcus multilocularis tar DNA binding protein 0.0186 0.2603 0.2603
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0225 0.0225
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0062 0.009
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0256 1
Schistosoma mansoni lamin 0.0027 0.0191 0.0191
Schistosoma mansoni Smad4 0.0032 0.0268 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0186 0.2603 0.2603
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0186 0.2603 0.3774
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0256 0.0256
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0169 0.0332
Brugia malayi MH1 domain containing protein 0.0032 0.0268 0.0389
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0032 0.0268 0.0268
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0256 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0032 0.0268 0.0268
Plasmodium falciparum flap endonuclease 1 0.0025 0.0169 0.5513
Onchocerca volvulus 0.0231 0.329 1
Schistosoma mansoni smad 0.0032 0.0268 0.0268
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0169 0.5513
Brugia malayi TAR-binding protein 0.0186 0.2603 0.3774
Brugia malayi hypothetical protein 0.0025 0.0164 0.0238
Echinococcus granulosus tumor protein p63 0.0326 0.4735 0.4735
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0256 1
Schistosoma mansoni hypothetical protein 0.0046 0.0486 0.0486
Leishmania major hypothetical protein, conserved 0.0025 0.0164 0.5279
Onchocerca volvulus 0.0029 0.0225 0.0685
Echinococcus multilocularis microtubule associated protein 2 0.0674 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0002 0.0003
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0169 0.5513
Schistosoma mansoni tar DNA-binding protein 0.0186 0.2603 0.2603
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0169 0.0245
Echinococcus multilocularis muscleblind protein 1 0.0144 0.1974 0.1974
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0169 0.5513
Loa Loa (eye worm) hypothetical protein 0.0048 0.0508 0.0737
Echinococcus granulosus intermediate filament protein 0.0027 0.0191 0.0191
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0002 0.0003
Loa Loa (eye worm) nuclear factor I 0.0018 0.0051 0.0075
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.0486 0.0705
Loa Loa (eye worm) MH1 domain-containing protein 0.0032 0.0268 0.0389
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0225 0.8417
Brugia malayi hypothetical protein 0.0016 0.0029 0.0043
Loa Loa (eye worm) TAR-binding protein 0.0186 0.2603 0.3774
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0508 0.0508
Echinococcus granulosus lamin dm0 0.0027 0.0191 0.0191
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0256 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.0486 0.0486
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0062 0.0062
Echinococcus granulosus muscleblind protein 0.0144 0.1974 0.1974
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0169 0.5513
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0169 0.0169
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0146 0.2005 0.2908
Loa Loa (eye worm) transcription factor SMAD2 0.0469 0.6897 1
Schistosoma mansoni hypothetical protein 0.0046 0.0486 0.0486
Plasmodium vivax SET domain protein, putative 0.0029 0.0225 0.8417
Schistosoma mansoni smad1 5 8 and 0.0032 0.0268 0.0268
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1161 0.1161
Loa Loa (eye worm) hypothetical protein 0.0027 0.0191 0.0277
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0164 0.5279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1161 0.1161
Schistosoma mansoni tar DNA-binding protein 0.0186 0.2603 0.2603
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0256 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0062 0.5
Onchocerca volvulus 0.0048 0.0508 0.1544
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0062 0.5
Echinococcus granulosus smad 0.0032 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0164 0.2267 0.2267
Loa Loa (eye worm) MH2 domain-containing protein 0.0469 0.6897 1
Brugia malayi Muscleblind-like protein 0.0144 0.1974 0.2862
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0256 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0032 0.0268 0.0268
Onchocerca volvulus 0.0027 0.0191 0.058
Schistosoma mansoni ap endonuclease 0.0018 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0146 0.2005 0.2908
Brugia malayi Flap endonuclease-1 0.0025 0.0169 0.0245
Echinococcus granulosus tar DNA binding protein 0.0186 0.2603 0.2603
Brugia malayi MH1 domain containing protein 0.0018 0.0051 0.0075
Schistosoma mansoni ap endonuclease 0.0018 0.0062 0.0062
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2865 0.4153
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0256 1
Schistosoma mansoni hypothetical protein 0.0046 0.0486 0.0486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1161 0.1161
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.0486 0.0705
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0164 0.5279
Schistosoma mansoni lamin 0.0027 0.0191 0.0191
Brugia malayi Latrophilin receptor protein 2 0.0046 0.0486 0.0705
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.0486 0.0486
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0025 0.0164 0.0238
Trichomonas vaginalis set domain proteins, putative 0.0231 0.329 1
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0169 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0191 0.0277
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1161 0.1161
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0164 0.5279
Echinococcus granulosus Smad4 0.0032 0.0268 0.0268
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0062 0.5
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0169 1
Schistosoma mansoni hypothetical protein 0.0046 0.0486 0.0486
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0256 0.0371
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0164 0.5279
Loa Loa (eye worm) hypothetical protein 0.0144 0.1974 0.2862
Echinococcus granulosus lamin 0.0027 0.0191 0.0191
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0256 1
Loa Loa (eye worm) RNA binding protein 0.0186 0.2603 0.3774
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0256 0.0371
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.1302 0.1888
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0209 0.0209
Echinococcus granulosus GPCR family 2 0.0046 0.0486 0.0486
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0256 0.0256
Brugia malayi intermediate filament protein 0.0027 0.0191 0.0277
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0046 0.0486 0.0705
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.0486 0.0486
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0256 1
Brugia malayi MH2 domain containing protein 0.0032 0.0268 0.0389
Brugia malayi Smad1 0.0032 0.0268 0.0389
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0032 0.0268 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0186 0.2603 0.2603
Loa Loa (eye worm) MH2 domain-containing protein 0.0032 0.0268 0.0389
Brugia malayi isocitrate dehydrogenase 0.0031 0.0256 0.0371
Echinococcus multilocularis GPCR, family 2 0.0046 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0029 0.0225 0.0327
Brugia malayi MH2 domain containing protein 0.0032 0.0268 0.0389
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0146 0.2005 0.2908
Brugia malayi MH1 domain containing protein 0.0018 0.0051 0.0075
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0062 0.009
Schistosoma mansoni intermediate filament proteins 0.0027 0.0191 0.0191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1161 0.1161
Schistosoma mansoni smad1 5 8 and 0.0032 0.0268 0.0268
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0164 0.5279
Onchocerca volvulus 0.0027 0.0191 0.058
Echinococcus multilocularis muscleblind protein 0.0144 0.1974 0.1974
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0225 0.0225
Schistosoma mansoni tar DNA-binding protein 0.0186 0.2603 0.2603
Schistosoma mansoni microtubule-associated protein tau 0.0674 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0032 0.0268 0.0268
Echinococcus multilocularis geminin 0.0164 0.2267 0.2267
Schistosoma mansoni hypothetical protein 0.01 0.1302 0.1302
Echinococcus multilocularis smad 0.0032 0.0268 0.0268
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0191 0.0277
Loa Loa (eye worm) hypothetical protein 0.0144 0.1974 0.2862
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0225 0.0225
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0256 0.0256
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0225 0.0225
Echinococcus granulosus flap endonuclease 1 0.0025 0.0169 0.0169
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0256 0.0256
Echinococcus multilocularis Smad4 0.0032 0.0268 0.0268
Echinococcus multilocularis musashi 0.0027 0.0191 0.0191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1161 0.1161
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0164 0.5279
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0075
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0256 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0225 0.0327
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0169 0.5513
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0026 0.0184 0.0266
Loa Loa (eye worm) Smad1 0.0032 0.0268 0.0389
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0164 0.5279
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0191 0.0277
Schistosoma mansoni smad1 5 8 and 0.0032 0.0268 0.0268
Brugia malayi Calcitonin receptor-like protein seb-1 0.0146 0.2005 0.2908
Brugia malayi MH1 domain containing protein 0.0032 0.0268 0.0389
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0256 0.0256
Schistosoma mansoni hypothetical protein 0.0164 0.2267 0.2267
Echinococcus multilocularis tumor protein p63 0.0326 0.4735 0.4735

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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