Detailed information for compound 154452

Basic information

Technical information
  • TDR Targets ID: 154452
  • Name: 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyra zine-2,3-dione
  • MW: 256.056 | Formula: C8H6BrN3O2
  • H donors: 2 H acceptors: 5 LogP: 1.48 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cnc2c(c1C)nc(c(n2)O)O
  • InChi: 1S/C8H6BrN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14)
  • InChiKey: CUEPJLKZPWHSHG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-quinone
  • 7-bromo-8-methyl-1,4-dihydropyrido[3,2-e]pyrazine-2,3-dione
  • 7-bromo-8-methyl-1,4-dihydropyrido[3,2-e]pyrazine-2,3-quinone
  • InChI=1/C8H6BrN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14
  • pyrido[2,3-b]pyrazine-2,3-dione, 7-bromo-1,4-dihydro-8-methyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa D-amino-acid oxidase Starlite/ChEMBL References
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Mycobacterium ulcerans D-amino acid oxidase Aao 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
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
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Candida albicans putative 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
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase   347 aa 376 aa 25.5 %
Echinococcus multilocularis glutamate (NMDA) receptor subunit Glutamate (NMDA) receptor subunit zeta 1   938 aa 822 aa 23.2 %
Candida albicans similar to putative d-amino acid oxidase D-amino-acid oxidase   347 aa 390 aa 23.3 %
Drosophila melanogaster Glutamate receptor IA Glutamate (NMDA) receptor subunit zeta 1   938 aa 979 aa 23.7 %
Onchocerca volvulus Unconventional prefoldin RPB5 interactor 1 homolog D-amino-acid oxidase   347 aa 351 aa 30.8 %
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni d-amino acid oxidase 0.0195 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0127 0.5848 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0195 1 0.5
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.3886 0.6645
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.4168 0.7127
Echinococcus multilocularis nmda type glutamate receptor 0.0127 0.5848 1
Echinococcus granulosus nmda type glutamate receptor 0.01 0.4168 0.1439
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0179 0.9003 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0195 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.4 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
Ki (binding) = -5.8 In vitro binding affinity for glycine site on the NMDA receptor. ChEMBL. No reference
Log Ki (binding) = 5.8 In vitro binding affinity for glycine site on the NMDA receptor. ChEMBL. No reference

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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