Detailed information for compound 527160

Basic information

Technical information
  • TDR Targets ID: 527160
  • Name: 2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid
  • MW: 181.127 | Formula: C5H12NO4P
  • H donors: 3 H acceptors: 4 LogP: -4.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(CCP(=O)(O)C)N
  • InChi: 1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
  • InChiKey: IAJOBQBIJHVGMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
  • 2-azanyl-4-[hydroxy(methyl)phosphoryl]butanoic acid
  • 2-amino-4-[hydroxy(methyl)phosphoryl]butyric acid
  • (2S)-2-amino-4-(hydroxy-methylphosphoryl)butanoic acid
  • (3-azaniumyl-4-hydroxy-4-oxobutyl)-methylphosphinate
  • (3-azaniumyl-4-hydroxy-4-oxo-butyl)-methyl-phosphinate
  • (3-ammonio-4-hydroxy-4-oxobutyl)-methylphosphinate
  • (3-ammonio-4-hydroxy-4-keto-butyl)-methyl-phosphinate
  • 2-azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate
  • 2-ammonio-4-[hydroxy(methyl)phosphoryl]butanoate
  • 2-ammonio-4-[hydroxy(methyl)phosphoryl]butyrate
  • phosphinothricin
  • 2-amino-4-(hydroxy-methylphosphoryl)butanoic acid
  • 2-amino-4-(hydroxy-methyl-phosphoryl)butanoic acid
  • 2-amino-4-(hydroxy-methyl-phosphoryl)butyric acid
  • 126633-48-5
  • 53369-07-6
  • NCGC00160382-01
  • 4-(Hydroxy(methyl)phosphinoyl)-DL-homoalanine
  • ( -)-Phosphinothricin
  • 2-Amino-4-(hydroxymethylphosphinyl)butyric acid
  • 3-Amino-3-carboxypropylmethylphosphinic acid
  • Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-
  • DL-2-Amino-4-(methylphosphino)butanoic acid
  • DL-Phosphinothricin
  • EINECS 257-102-5
  • GLUFOSINATE
  • (+-)-2-Amino-4-(hydroxymethylphosphinyl)butanoic acid (9CI)
  • Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, (+-)-
  • 2-Amino-4-(hydroxymethylphosphinyl)butanoic acid
  • C05042
  • Glufosinate [BSI:ISO]
  • DL-Homoalanin-4-yl (methyl)phosphinic acid
  • NChemBio.2007.9-comp2
  • 2-azaniumyl-4-(hydroxy-methylphosphoryl)butanoate
  • 2-azaniumyl-4-(hydroxy-methyl-phosphoryl)butanoate
  • 2-ammonio-4-(hydroxy-methylphosphoryl)butanoate
  • 2-ammonio-4-(hydroxy-methyl-phosphoryl)butyrate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) Curated by TDR Targets References
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) Curated by TDR Targets References
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_127086 All targets in OG5_127086
Schistosoma japonicum ko:K01915 glutamine synthetase [EC6.3.1.2], putative Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) Get druggable targets OG5_127086 All targets in OG5_127086
Plasmodium falciparum glutamine synthetase, putative Get druggable targets OG5_127086 All targets in OG5_127086
Cryptosporidium parvum glutamate synthetase, possible bacterial origin, beta-grasp+glutamate synthase catalytic domain Get druggable targets OG5_127086 All targets in OG5_127086
Plasmodium vivax glutamine synthetase, putative Get druggable targets OG5_127086 All targets in OG5_127086
Toxoplasma gondii glutamine synthetase, type I, putative Get druggable targets OG5_127086 All targets in OG5_127086
Cryptosporidium hominis glutamine synthetase Get druggable targets OG5_127086 All targets in OG5_127086
Schistosoma mansoni glutamine synthetase bacteria Get druggable targets OG5_127086 All targets in OG5_127086
Schistosoma japonicum Glutamine synthetase, putative Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium tuberculosis Glutamine synthetase GlnA1 (glutamine synthase) (GS-I) Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium ulcerans glutamine synthetase GlnA1 Get druggable targets OG5_127086 All targets in OG5_127086
Wolbachia endosymbiont of Brugia malayi glutamine synthetase Get druggable targets OG5_127086 All targets in OG5_127086
Plasmodium berghei glutamine synthetase, putative Get druggable targets OG5_127086 All targets in OG5_127086
Plasmodium knowlesi glutamine synthetase, putative Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_127086 All targets in OG5_127086
Schistosoma japonicum expressed protein Get druggable targets OG5_127086 All targets in OG5_127086
Neospora caninum Glutamine synthetase (EC 6.3.1.2), related Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium leprae GLUTAMINE SYNTHETASE GLNA1 (GLUTAMINE SYNTHASE) (Glutamate--ammonia ligase 1) (GS-I) Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium ulcerans glutamine synthetase Get druggable targets OG5_127086 All targets in OG5_127086
Schistosoma mansoni glutamine synthetase bacteria Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) Get druggable targets OG5_127086 All targets in OG5_127086
Plasmodium yoelii glutamine synthetase, putative Get druggable targets OG5_127086 All targets in OG5_127086
Mycobacterium tuberculosis Probable glutamine synthetase GlnA4 (glutamine synthase) (GS-II) Get druggable targets OG5_127086 All targets in OG5_127086
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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 31 uM Inhibition of glutamine synthetase in glufosinate-susceptible Lolium multiflorum C1 (Italian ryegrass) seedlings ChEMBL. 22488875
IC50 (binding) = 137 uM Inhibition of glutamine synthetase in glufosinate-susceptible Lolium multiflorum C2 (Italian ryegrass) seedlings ChEMBL. 22488875
IC50 (binding) = 2432 uM Inhibition of glutamine synthetase in glufosinate-resistant Lolium multiflorum MG (Italian ryegrass) seedlings ChEMBL. 22488875

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium tuberculosis 256476  
Annotator: crowther@u.washington.edu Comment: 2007-12-21 References: 10224282
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium tuberculosis 6149  
Annotator: crowther@u.washington.edu Comment: 2007-12-21 References: 10224282
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium tuberculosis 6150  
Annotator: crowther@u.washington.edu Comment: 2007-12-21 References: 10224282

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

2 literature references were collected for this gene.

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