Detailed information for compound 979450

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 168.173 | Formula: C6H4N2O2S
  • H donors: 2 H acceptors: 3 LogP: 1.36 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc2c([nH]1)scn2
  • InChi: 1S/C6H4N2O2S/c9-6(10)4-1-3-5(8-4)11-2-7-3/h1-2,8H,(H,9,10)
  • InChiKey: LDFOPBTWMRPREB-UHFFFAOYSA-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 D-amino-acid oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 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
Candida albicans 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
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
Candida albicans putative d-amino acid oxidase 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
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 378 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0016 0 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0195 1 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0016 0 0.5
Brugia malayi RE18450p 0.0016 0 0.5
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0179 0.9091 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0016 0 0.5
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0016 0 0.5
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0016 0 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0195 1 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0016 0 0.5
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0016 0 0.5
Leishmania major hypothetical protein, conserved 0.0016 0 0.5
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0016 0 0.5
Brugia malayi cDNA sequence BC016226 0.0016 0 0.5
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0016 0 0.5
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0016 0 0.5
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0016 0 0.5
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0016 0 0.5
Leishmania major hypothetical protein, conserved 0.0016 0 0.5
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0016 0 0.5
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0016 0 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0016 0 0.5
Chlamydia trachomatis D-amino acid dehydrogenase 0.0016 0 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0016 0 0.5
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0016 0 0.5
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0016 0 0.5
Schistosoma mansoni d-amino acid oxidase 0.0195 1 1
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0016 0 0.5
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0016 0 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0016 0 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0016 0 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0016 0 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0016 0 0.5
Toxoplasma gondii hypothetical protein 0.0016 0 0.5
Onchocerca volvulus Putative fad oxidoreductase 0.0016 0 0.5
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0016 0 0.5
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0016 0 0.5
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0016 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4204 nM Inhibition of human DAO ChEMBL. 18455394

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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