Detailed information for compound 548964

Basic information

Technical information
  • TDR Targets ID: 548964
  • Name: (2S)-2-amino-4,4,4-trifluoro-3-methyl-butanoi c acid
  • MW: 171.118 | Formula: C5H8F3NO2
  • H donors: 2 H acceptors: 2 LogP: -1.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H](C(C(F)(F)F)C)N
  • InChi: 1S/C5H8F3NO2/c1-2(5(6,7)8)3(9)4(10)11/h2-3H,9H2,1H3,(H,10,11)/t2?,3-/m0/s1
  • InChiKey: BAOLXXJPOPIBKA-NFJMKROFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-amino-4,4,4-trifluoro-3-methylbutanoic acid
  • (2S)-2-azanyl-4,4,4-trifluoro-3-methyl-butanoic acid
  • (2S)-2-amino-4,4,4-trifluoro-3-methyl-butyric acid
  • 4,4,4-trifluorovaline

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 jumonji domain containing 1A 0.0015 0.056 0.056
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.96 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.2925 0.2822
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.5014 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.96 0.9577
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.056 0.056
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.5014 0.4719
Brugia malayi jmjC domain containing protein 0.0015 0.056 0.0279
Plasmodium falciparum JmjC domain-containing protein, putative 0.0015 0.056 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.056 0.0583
Brugia malayi Inositol-1 0.0036 0.5014 0.5069
Echinococcus granulosus intermediate filament protein 0.0026 0.2925 0.2925
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.686 0.6674
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 1 1
Echinococcus multilocularis musashi 0.0026 0.2925 0.2925
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.5014 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.056 0.0583
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.686 0.7054
Schistosoma mansoni jumonji domain containing protein 0.0057 0.96 0.9577
Schistosoma mansoni aldehyde dehydrogenase 0.0059 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 1 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.5014 0.4719
Brugia malayi intermediate filament protein 0.0026 0.2925 0.2822
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.5014 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.056 0.056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.686 0.6674
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.5014 0.4719
Brugia malayi jmjC domain containing protein 0.0057 0.96 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.5014 0.5014
Onchocerca volvulus 0.0026 0.2925 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.2925 0.3047
Echinococcus granulosus phd:f box containing protein 0.0015 0.056 0.056
Echinococcus multilocularis lamin dm0 0.0026 0.2925 0.2925
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.056 0.056
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.96 0.96
Brugia malayi jmjC domain containing protein 0.0015 0.056 0.0279
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.056 0.056
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.056 0.056
Schistosoma mansoni lamin 0.0026 0.2925 0.2506
Toxoplasma gondii aldehyde dehydrogenase 0.0059 1 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.2925 0.2506
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 1 1
Echinococcus multilocularis lamin 0.0026 0.2925 0.2925
Schistosoma mansoni lamin 0.0026 0.2925 0.2506
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.056 0.056
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.5014 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.056 0.0583
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.686 0.686
Brugia malayi jmjC domain containing protein 0.0015 0.056 0.0279
Loa Loa (eye worm) intermediate filament protein 0.0026 0.2925 0.3047
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.5014 0.5
Loa Loa (eye worm) inositol-1 0.0036 0.5014 0.5223
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.5014 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.96 0.96
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.056 0.0583
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.5014 0.5014
Loa Loa (eye worm) hypothetical protein 0.0026 0.2821 0.2939
Brugia malayi jmjC domain containing protein 0.0057 0.96 1
Onchocerca volvulus 0.0026 0.2925 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.5014 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.056 0.0583
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.4203 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.686 0.686
Schistosoma mansoni aldehyde dehydrogenase 0.0059 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.686 0.686
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.96 0.9577
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.96 0.96
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.2925 0.3047
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.056 0.056
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 1 1
Plasmodium vivax JmjC domain containing protein 0.0015 0.056 0.5
Schistosoma mansoni inositol monophosphatase 0.0036 0.5014 0.4719
Brugia malayi jmjC domain containing protein 0.0015 0.056 0.0279
Echinococcus granulosus lamin 0.0026 0.2925 0.2925
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.96 0.96
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.686 0.6674
Echinococcus granulosus lamin dm0 0.0026 0.2925 0.2925
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.686 0.686
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.03 0.0313
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.686 0.7146
Loa Loa (eye worm) hypothetical protein 0.0015 0.056 0.0583
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.5014 0.5
Echinococcus multilocularis phd:f box containing protein 0.0015 0.056 0.056

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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