Detailed information for compound 2117313

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.057 | Formula: C11H14N2O6S
  • H donors: 4 H acceptors: 6 LogP: -2.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 0
  • SMILES: N[C@@H](C(C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O
  • InChi: InChI=1S/C11H14N2O6S/c1-6-2-4-7(5-3-6)20(18,19)13-9(11(16)17)8(12)10(14)15/h2-5,8-9,13H,12H2,1H3,(H,14,15)(H,16,17)/t8-,9?/m0/s1
  • InChiKey: QECYIKYYAOOLLH-IENPIDJESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 1 (neuronal/epithelial high affinity glutamate transporter, system Xag), member 1 References
Homo sapiens solute carrier family 1 (glial high affinity glutamate transporter), member 2 References
Homo sapiens solute carrier family 1 (glial high affinity glutamate transporter), member 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neutral amino acid transporter A Get druggable targets OG5_126739 All targets in OG5_126739
Schistosoma japonicum Excitatory amino acid transporter 2, putative Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis sodium:dicarboxylate symporter Get druggable targets OG5_126739 All targets in OG5_126739
Schistosoma japonicum ko:K05614 solute carrier family 1 (glial high affinity glutamate transporter),, putative Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis neutral amino acid transporter A Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis Excitatory amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
Brugia malayi Excitatory amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
Chlamydia trachomatis glutamate symporter Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus neutral amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis excitatory amino acid transporter 2 Get druggable targets OG5_126739 All targets in OG5_126739
Schistosoma japonicum ko:K05613 solute carrier family 1 (glial high affinity glutamate transporter),, putative Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus excitatory amino acid transporter 2 Get druggable targets OG5_126739 All targets in OG5_126739
Theileria parva glutamate transporter, putative Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus Excitatory amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis neutral amino acid transporter A Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus sodium:dicarboxylate symporter Get druggable targets OG5_126739 All targets in OG5_126739
Loa Loa (eye worm) excitatory amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus Excitatory amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis excitatory amino acid transporter 3 Get druggable targets OG5_126739 All targets in OG5_126739
Onchocerca volvulus Excitatory amino acid transporter homolog Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis excitatory amino acid transporter 2 Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus neutral amino acid transporter A Get druggable targets OG5_126739 All targets in OG5_126739
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter Get druggable targets OG5_126739 All targets in OG5_126739
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus excitatory amino acid transporter 2 Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis neutral amino acid transporter A Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus granulosus excitatory amino acid transporter 3 Get druggable targets OG5_126739 All targets in OG5_126739
Echinococcus multilocularis Excitatory amino acid transporter Get druggable targets OG5_126739 All targets in OG5_126739
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 tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0457 0.5 0.5
Echinococcus granulosus excitatory amino acid transporter 3 0.0457 0.5 0.5
Loa Loa (eye worm) excitatory amino acid transporter 0.0457 0.5 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0457 0.5 0.5
Echinococcus granulosus neutral amino acid transporter A 0.0457 0.5 0.5
Echinococcus multilocularis Excitatory amino acid transporter 0.0457 0.5 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0457 0.5 0.5
Echinococcus granulosus neutral amino acid transporter A 0.0457 0.5 0.5
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0457 0.5 0.5
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0457 0.5 0.5
Echinococcus multilocularis Excitatory amino acid transporter 0.0457 0.5 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0457 0.5 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0457 0.5 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0457 0.5 0.5
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0457 0.5 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.0457 0.5 0.5
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0457 0.5 0.5
Echinococcus granulosus neutral amino acid transporter 0.0457 0.5 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0457 0.5 0.5
Echinococcus multilocularis excitatory amino acid transporter 3 0.0457 0.5 0.5
Chlamydia trachomatis glutamate symporter 0.0457 0.5 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.0457 0.5 0.5
Echinococcus granulosus Excitatory amino acid transporter 0.0457 0.5 0.5
Echinococcus granulosus Excitatory amino acid transporter 0.0457 0.5 0.5
Echinococcus granulosus sodium:dicarboxylate symporter 0.0457 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.49 Inhibition of [3H]-D-Asp uptake at human EAAT2 expressed in HEK293 cells measured after 3 mins by TopCount method LITERATURE. 27636002
IC50 (binding) = 5.71 Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method LITERATURE. 27636002
IC50 (binding) = 6.42 Inhibition of [3H]-D-Asp uptake at human EAAT1 expressed in HEK293 cells measured after 3 mins by TopCount method LITERATURE. 27636002
IC50 (binding) = 0.38 uM Inhibition of [3H]-D-Asp uptake at human EAAT1 expressed in HEK293 cells measured after 3 mins by TopCount method LITERATURE. 27636002
IC50 (binding) = 1.9 uM Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method LITERATURE. 27636002
IC50 (binding) = 3.3 uM Inhibition of [3H]-D-Asp uptake at human EAAT2 expressed in HEK293 cells measured after 3 mins by TopCount method LITERATURE. 27636002
Inhibition (binding) Displacement of [3H]CGP39653 from NMDA receptor in SPRD rat brain synaptic membranes up to 100 uM after 60 mins by TopCount microplate scintillation counting method LITERATURE. 27636002

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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