Detailed information for compound 548779

Basic information

Technical information
  • TDR Targets ID: 548779
  • Name: 4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6-oxo -pyran-2-carboxylic acid
  • MW: 227.171 | Formula: C9H9NO6
  • H donors: 3 H acceptors: 5 LogP: -3.26 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(C[C@@H](C(=O)O)N)cc(o1)C(=O)O
  • InChi: 1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)/t5-/m0/s1
  • InChiKey: KQZBVNZAEQASKU-YFKPBYRVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-6-oxo-2-pyrancarboxylic acid
  • 4-[(2S)-2-azanyl-3-hydroxy-3-oxo-propyl]-6-oxo-pyran-2-carboxylic acid
  • 4-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-6-keto-pyran-2-carboxylic acid
  • 4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-6-oxopyran-2-carboxylic acid
  • stizolobic acid
  • 15911-87-2
  • 26939-73-1
  • 2H-Pyran-4-propanoic acid, alpha-amino-6-carboxy-2-oxo-, (S)-
  • alpha-Amino-6-carboxy-2-oxo-2H-pyran-4-propionic acid

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
Leishmania major hypothetical protein, conserved 0.0025 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.5851 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.5851 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.5851 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.8923 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.5851 0.23
Loa Loa (eye worm) hypothetical protein 0.0023 0.8923 0.8001
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.5851 0.3543
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.8923 0.7403
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.8923 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.8923 0.7403
Loa Loa (eye worm) hypothetical protein 0.0023 0.8923 0.8001
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8923 0.8001
Mycobacterium ulcerans hypothetical protein 0.0023 0.8923 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.8923 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.8923 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.4611 0.139
Toxoplasma gondii LsmAD domain-containing protein 0.0025 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.8923 1
Schistosoma mansoni ap endonuclease 0.0019 0.5851 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.5851 0.2875
Onchocerca volvulus 0.0023 0.8923 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.8923 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.5851 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.5851 0.23
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.8923 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.8923 0.7403
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.4611 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.8923 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.8923 0.8323
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.5851 0.3865
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.8923 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.8923 0.8323
Plasmodium vivax ataxin-2 like protein, putative 0.0025 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.5851 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.8923 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.5851 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.8923 0.8323
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.8923 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.8923 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.5851 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.8923 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.5851 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.8923 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.5851 0.23
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 1 1

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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