Detailed information for compound 212332

Basic information

Technical information
  • TDR Targets ID: 212332
  • Name: 7-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3 -dione
  • MW: 197.579 | Formula: C7H4ClN3O2
  • H donors: 2 H acceptors: 5 LogP: 1.06 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cnc2c(c1)nc(c(n2)O)O
  • InChi: 1S/C7H4ClN3O2/c8-3-1-4-5(9-2-3)11-7(13)6(12)10-4/h1-2H,(H,10,12)(H,9,11,13)
  • InChiKey: YFWLSZXJLSPXTO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-quinone
  • 7-chloro-1,4-dihydropyrido[3,2-e]pyrazine-2,3-dione
  • 7-chloro-1,4-dihydropyrido[3,2-e]pyrazine-2,3-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL References
Sus scrofa D-amino-acid oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma mansoni d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma japonicum ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium ulcerans D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans similar to putative d-amino acid oxidase D-amino-acid oxidase   347 aa 390 aa 23.3 %
Onchocerca volvulus Unconventional prefoldin RPB5 interactor 1 homolog D-amino-acid oxidase   347 aa 351 aa 30.8 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase   347 aa 376 aa 25.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.012 0.5
Brugia malayi Pre-SET motif family protein 0.0243 0.8628 1
Schistosoma mansoni hypothetical protein 0.0193 0.6569 0.9881
Echinococcus granulosus geminin 0.0193 0.6569 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0195 0.6646 0.5
Plasmodium vivax SET domain protein, putative 0.0035 0.012 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.8628 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0179 0.5984 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0195 0.6646 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.012 0.0183
Trichomonas vaginalis set domain proteins, putative 0.0277 1 0.5
Schistosoma mansoni d-amino acid oxidase 0.0195 0.6646 1
Echinococcus multilocularis geminin 0.0193 0.6569 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.012 0.0183
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0068 0.0103
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.012 0.0183
Loa Loa (eye worm) hypothetical protein 0.0195 0.6646 0.7671
Schistosoma mansoni hypothetical protein 0.0193 0.6569 0.9881

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.2 uM Displacement of [3H]-DCKA at N-methyl-D-aspartate glutamate receptor 1 ChEMBL. 9357535
IC50 (binding) = 2.2 uM Displacement of [3H]-DCKA at N-methyl-D-aspartate glutamate receptor 1 ChEMBL. 9357535
IC50 (binding) = 6.7 uM Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reader analysis ChEMBL. 27089209
IC50 (binding) = 22 uM Displacement of [3H]-Kainate from rat brain cortical membrane Ionotropic glutamate receptor kainate ChEMBL. 9357535
IC50 (binding) = 22 uM Displacement of [3H]-Kainate from rat brain cortical membrane Ionotropic glutamate receptor kainate ChEMBL. 9357535
IC50 (binding) = 38 uM Binding affinity in rat brain cortical membranes by the displacement of [3H]-AMPA at Ionotropic glutamate receptor AMPA ChEMBL. 9357535
IC50 (binding) = 38 uM Binding affinity in rat brain cortical membranes by the displacement of [3H]-AMPA at Ionotropic glutamate receptor AMPA ChEMBL. 9357535

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.