Detailed information for compound 552437

Basic information

Technical information
  • TDR Targets ID: 552437
  • Name: (2S)-4-(2-acetamido-3-hydroxy-3-oxo-propyl)su lfanyl-2-amino-butanoic acid
  • MW: 264.299 | Formula: C9H16N2O5S
  • H donors: 4 H acceptors: 5 LogP: -3.42 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC(C(=O)O)CSCC[C@@H](C(=O)O)N
  • InChi: 1S/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7?/m0/s1
  • InChiKey: QWACVTVBTRSCRL-PKPIPKONSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-4-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2-aminobutanoic acid
  • (2S)-4-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2-azanyl-butanoic acid
  • (2S)-4-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-2-amino-butyric acid
  • (2S)-4-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-2-aminobutanoic acid
  • S-(L-2-(acetylamino)-2-carboxyethyl)-L-homocysteine
  • 20619-80-1
  • L-Homocysteine, S-(2-(acetylamino)-2-carboxyethyl)-
  • N-Monoacetylcystathionine
  • Nac-cysta

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
Mycobacterium ulcerans lipase LipD 0.0035 0.0986 0.5
Onchocerca volvulus 0.0035 0.0986 1
Brugia malayi hypothetical protein 0.0032 0.0829 0.027
Mycobacterium ulcerans beta-lactamase 0.0035 0.0986 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0986 0.0437
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0986 0.5
Brugia malayi Melibiase family protein 0.0067 0.2478 0.202
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.046
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0986 0.0437
Brugia malayi beta-lactamase family protein 0.0035 0.0986 0.0437
Schistosoma mansoni hypothetical protein 0.0022 0.0372 0.0919
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0986 0.1669
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0986 0.1669
Onchocerca volvulus 0.0035 0.0986 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.1651 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0574 0.0024
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.1651 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0986 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.046
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.1651 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0986 0.2435
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.405 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.2478 0.6119
Leishmania major hypothetical protein, conserved 0.0049 0.1651 1
Brugia malayi hypothetical protein 0.0049 0.1651 0.1142
Loa Loa (eye worm) beta-lactamase 0.0035 0.0986 0.046
Echinococcus multilocularis lamin 0.0026 0.0574 0.055
Toxoplasma gondii melibiase subfamily protein 0.01 0.405 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0574 0.0024
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.405 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1651 0.1164
Brugia malayi beta-lactamase 0.0035 0.0986 0.0437
Echinococcus multilocularis musashi 0.0026 0.0574 0.055
Loa Loa (eye worm) hypothetical protein 0.0067 0.2478 0.2039
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.1651 0.4077
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0574 0.0024
Onchocerca volvulus 0.0035 0.0986 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0574 0.1418
Mycobacterium leprae Probable lipase LipE 0.0035 0.0986 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0986 0.2435
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.405 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.046
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.405 1
Schistosoma mansoni lamin 0.0026 0.0574 0.1418
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.1651 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.405 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.9898 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.405 1
Echinococcus granulosus lamin 0.0026 0.0574 0.055
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.1651 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.1651 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.0574 0.055
Echinococcus granulosus lamin dm0 0.0026 0.0574 0.055
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0986 0.5
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.2478 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.405 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0986 0.2435
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0986 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.046
Schistosoma mansoni lamin 0.0026 0.0574 0.1418
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.046
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.046
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0986 0.046
Echinococcus granulosus intermediate filament protein 0.0026 0.0574 0.055
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.2478 0.6119

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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