Detailed information for compound 557404

Basic information

Technical information
  • TDR Targets ID: 557404
  • Name: 2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]acetic acid
  • MW: 195.172 | Formula: C9H9NO4
  • H donors: 2 H acceptors: 3 LogP: 0.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CNC(=O)/C=C/c1ccco1
  • InChi: 1S/C9H9NO4/c11-8(10-6-9(12)13)4-3-7-2-1-5-14-7/h1-5H,6H2,(H,10,11)(H,12,13)/b4-3+
  • InChiKey: XJVSWKBQMAOKAX-ONEGZZNKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(E)-3-(2-furyl)-1-oxoallyl]amino]acetic acid
  • 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethanoic acid
  • 2-[[(E)-3-(2-furyl)acryloyl]amino]acetic acid
  • 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid
  • 3-(2-furylacryloyl)glycine
  • 2-(3-furan-2-ylprop-2-enoylamino)acetic acid
  • 2-[[(E)-3-furan-2-ylprop-2-enoyl]amino]acetic acid
  • 2-[3-(2-furyl)prop-2-enoylamino]acetic acid
  • 2-[[3-(2-furyl)-1-oxoprop-2-enyl]amino]acetic acid
  • 2-[[(E)-3-(2-furyl)-1-oxoprop-2-enyl]amino]acetic acid
  • 2-[[3-(2-furyl)acryloyl]amino]acetic acid
  • 2-[[(E)-3-furan-2-ylprop-2-enoyl]amino]ethanoic acid
  • 2-(3-furan-2-ylprop-2-enoylamino)ethanoic acid
  • 29243-71-8
  • FA-Gly
  • Furanacryloylglycine
  • Glycine, N-(3-(2-furanyl)-1-oxo-2-propenyl)-
  • 408409_ALDRICH
  • trans-N-(2-Furfurylideneacetyl)glycine

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 0.0024 0.0213 0.0349
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0138 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0295 0.0241
Brugia malayi jmjC domain containing protein 0.0095 0.129 0.2118
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0138 0.0084
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0012 0.0033 0.0245
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0387 0.0334
Brugia malayi Pre-SET motif family protein 0.0059 0.0751 0.1233
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0194 0.2779 1
Echinococcus multilocularis muscleblind protein 0.0144 0.203 0.1986
Loa Loa (eye worm) hypothetical protein 0.0029 0.0295 0.0484
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0055 0.009
Loa Loa (eye worm) hypothetical protein 0.0018 0.0123 0.0202
Entamoeba histolytica hypothetical protein 0.0036 0.0397 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0295 0.0347
Echinococcus granulosus muscleblind protein 0.0144 0.203 0.1986
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0213 0.0349
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0295 0.106
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0138 0.0305
Echinococcus multilocularis peregrin 0.0029 0.0295 0.0241
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0013 0.0055 0.0198
Loa Loa (eye worm) hypothetical protein 0.0018 0.0123 0.0202
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0295 0.106
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.129 0.1242
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0397 0.2959
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1323 0.1275
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0213 0.058
Loa Loa (eye worm) hypothetical protein 0.0013 0.0055 0.009
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0414 0.6091 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0138 0.0305
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0194 0.2779 1
Schistosoma mansoni hypothetical protein 0.0029 0.0295 0.2196
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0466 0.0413
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0751 0.5599
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0138 1
Schistosoma mansoni ap endonuclease 0.0019 0.0138 0.1029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0751 0.5599
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0213 0.058
Echinococcus multilocularis muscleblind protein 1 0.0144 0.203 0.1986
Trichomonas vaginalis hypothetical protein 0.0194 0.2779 0.3876
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0123 0.0442
Entamoeba histolytica hypothetical protein 0.0036 0.0397 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0213 0.0349
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0123 0.0442
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0397 0.0344
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0013 0.0055 0.3977
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0213 0.0349
Loa Loa (eye worm) hypothetical protein 0.0144 0.203 0.3332
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0213 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0138 0.0497
Echinococcus multilocularis tumor protein p63 0.0674 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0138 0.0227
Loa Loa (eye worm) hypothetical protein 0.0018 0.0123 0.0202
Onchocerca volvulus 0.0471 0.6952 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0138 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0397 0.0344
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0213 0.058
Schistosoma mansoni hypothetical protein 0.0036 0.0397 0.2959
Trichomonas vaginalis set domain proteins, putative 0.0471 0.6952 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0213 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0213 0.4617
Onchocerca volvulus 0.0024 0.0213 0.0229
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0013 0.0055 0.0409
Loa Loa (eye worm) hypothetical protein 0.0099 0.1342 0.2203
Onchocerca volvulus 0.0099 0.1342 0.1865
Loa Loa (eye worm) hypothetical protein 0.0018 0.0123 0.0202
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0213 0.058
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0013 0.0055 0.0198
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0213 0.058
Schistosoma mansoni dihydropteridine reductase 0.0013 0.0055 0.0409
Entamoeba histolytica hypothetical protein 0.0036 0.0397 1
Plasmodium vivax SET domain protein, putative 0.0059 0.0751 0.2703
Trypanosoma brucei pteridine reductase 1 0.0013 0.0055 0.3977
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0194 0.2779 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0213 0.0349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1323 0.9864
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1323 0.9864
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0996 0.7421
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0055 0.009
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0194 0.2779 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0213 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0123 0.0249
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0387 0.0334
Entamoeba histolytica hypothetical protein 0.0036 0.0397 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0013 0.0055 0.009
Onchocerca volvulus 0.0059 0.0751 0.1009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0751 0.07
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0387 0.0635
Brugia malayi PHD-finger family protein 0.0029 0.0295 0.0484
Plasmodium falciparum phd finger protein, putative 0.0029 0.0295 0.106
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0033 0.0054
Brugia malayi Pre-SET motif family protein 0.0414 0.6091 1
Trypanosoma brucei oxidoreductase-like protein 0.0013 0.0055 0.3977
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0013 0.0055 0.0198
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0194 0.2779 1
Giardia lamblia PHD finger protein 15 0.0029 0.0295 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.076 0.1249
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.1342 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0138 0.0227
Echinococcus granulosus peregrin 0.0029 0.0295 0.0241
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.1323 0.2173
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0013 0.0055 0.0198
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0138 0.0084
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0718 0.0667
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0108 0.0196
Plasmodium falciparum enoyl-acyl carrier reductase 0.0194 0.2779 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0123 0.0202
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0295 0.2196
Loa Loa (eye worm) hypothetical protein 0.0059 0.0751 0.1233
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0751 0.2703
Toxoplasma gondii exonuclease III APE 0.0019 0.0138 0.0497
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0138 0.2431
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0213 0.4617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1323 0.1275
Loa Loa (eye worm) oxidoreductase 0.0013 0.0055 0.009
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0295 0.106
Brugia malayi jmjC domain containing protein 0.0035 0.0387 0.0635
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0213 0.058
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1323 0.1275
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0213 0.058
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0387 0.2882
Echinococcus granulosus jumonji domain containing protein 0.004 0.0466 0.0413
Loa Loa (eye worm) hypothetical protein 0.0024 0.0213 0.0349
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0138 0.0497
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0751 0.07
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0213 0.058
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0108 0.0196
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0138 0.0305
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0123 0.0249
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0138 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0751 0.07
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0751 0.5599
Mycobacterium ulcerans hypothetical protein 0.0024 0.0213 0.058
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0194 0.2779 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0108 0.0196
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0213 0.058
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0013 0.0055 0.0198
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0138 0.5266
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0295 0.0484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1323 0.9864
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1323 0.1275
Loa Loa (eye worm) hypothetical protein 0.005 0.0607 0.0997
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0123 0.0249
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0194 0.2779 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0751 0.5599
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0213 0.058
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.1323 0.2173
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0387 0.2882
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0213 0.058
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0213 0.4617
Loa Loa (eye worm) hypothetical protein 0.0144 0.203 0.3332
Brugia malayi hypothetical protein 0.0036 0.0397 0.0652
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0295 0.0241
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0108 0.0196
Brugia malayi Bromodomain containing protein 0.0029 0.0295 0.0484
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.129 0.1242
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.0055 0.009
Schistosoma mansoni ap endonuclease 0.0019 0.0138 0.1029
Brugia malayi Muscleblind-like protein 0.0144 0.203 0.3332

Activities

Activity type Activity value Assay description Source Reference
Km (binding) = 1.2 mM Activity of rat recombinant peptidylglycine alpha-amidating monooxygenase assessed as stimulation of oxygen consumption ChEMBL. 18952446
Ratio (binding) = 2.8 10'3/M/s Ratio of Vm(app) to Km(app) for rat recombinant peptidylglycine alpha-amidating monooxygenase ChEMBL. 18952446
Vmax(app) (binding) = 3.4 /s Activity of rat recombinant peptidylglycine alpha-amidating monooxygenase assessed as stimulation of oxygen consumption ChEMBL. 18952446

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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