Detailed information for compound 257139

Basic information

Technical information
  • TDR Targets ID: 257139
  • Name: (2S)-2-[methyl(sulfamoyl)amino]-3-phenylpropa noic acid
  • MW: 258.294 | Formula: C10H14N2O4S
  • H donors: 2 H acceptors: 4 LogP: 0.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(S(=O)(=O)N)[C@H](C(=O)O)Cc1ccccc1
  • InChi: 1S/C10H14N2O4S/c1-12(17(11,15)16)9(10(13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)(H2,11,15,16)/t9-/m0/s1
  • InChiKey: BXKFUVWBDAHOKF-VIFPVBQESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[methyl(sulfamoyl)amino]-3-phenyl-propanoic acid
  • (2S)-2-[methyl(sulfamoyl)amino]-3-phenyl-propionic acid
  • (2S)-2-(methyl-sulfamoylamino)-3-phenylpropanoic acid
  • (2S)-2-(methyl-sulfamoyl-amino)-3-phenyl-propanoic acid
  • (2S)-2-(methyl-sulfamoyl-amino)-3-phenyl-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
Echinococcus granulosus prolyl endopeptidase 0.0136 1 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0055 0.0084 0.5
Onchocerca volvulus Prolyl endopeptidase homolog 0.0136 1 1
Toxoplasma gondii prolyl endopeptidase 0.0136 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0136 1 1
Onchocerca volvulus 0.0085 0.3774 0.3722
Brugia malayi Trypsin family protein 0.0104 0.6074 0.604
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0136 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0104 0.6074 0.604
Loa Loa (eye worm) hypothetical protein 0.0104 0.6074 0.604
Trypanosoma brucei prolyl endopeptidase 0.0136 1 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0054 0 0.5
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0122 0.8259 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.6074 0.604
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0055 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0104 0.6074 0.604
Trypanosoma cruzi prolyl endopeptidase 0.0136 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0054 0 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0136 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0055 0.0084 0.0084
Leishmania major hypothetical protein, conserved 0.0055 0.0084 0.0084
Onchocerca volvulus 0.0104 0.6074 0.604
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0136 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3500 uM Inhibitory activity of the compound against Carboxypeptidase A ChEMBL. 12431056
Ki (binding) = 3500 uM Inhibitory activity of the compound against Carboxypeptidase A ChEMBL. 12431056

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

1 literature reference was collected for this gene.

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