Detailed information for compound 780949

Basic information

Technical information
  • TDR Targets ID: 780949
  • Name: 5-[(3-iodo-4-methoxy-5-nitrophenyl)methyliden e]-1,3-diazinane-2,4,6-trione
  • MW: 417.113 | Formula: C12H8IN3O6
  • H donors: 2 H acceptors: 5 LogP: 1.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(I)cc(cc1[N+](=O)[O-])C=C1C(=O)NC(=O)NC1=O
  • InChi: 1S/C12H8IN3O6/c1-22-9-7(13)3-5(4-8(9)16(20)21)2-6-10(17)14-12(19)15-11(6)18/h2-4H,1H3,(H2,14,15,17,18,19)
  • InChiKey: SXTPUPKBUYBBRY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(3-iodo-4-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione
  • 5-[(3-iodo-4-methoxy-5-nitrophenyl)methylene]hexahydropyrimidine-2,4,6-trione
  • 5-(3-iodo-4-methoxy-5-nitro-benzylidene)barbituric acid
  • 5-[(3-iodo-4-methoxy-5-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione
  • A1865/0078394

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 pyruvate kinase 0.0033 0.3513 0.3513
Brugia malayi RNA recognition motif domain containing protein 0.0062 1 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.3513 0.2518
Echinococcus granulosus pyruvate kinase 0.0033 0.3513 0.3513
Loa Loa (eye worm) RNA binding protein 0.0062 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.3513 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.3513 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.3513 0.5
Echinococcus multilocularis pyruvate kinase 0.0033 0.3513 0.3513
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.3513 0.5
Schistosoma mansoni pyruvate kinase 0.0033 0.3513 0.3513
Leishmania major pyruvate kinase 0.0033 0.3513 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 1 1
Schistosoma mansoni pyruvate kinase 0.0033 0.3513 0.3513
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.3513 0.5
Brugia malayi TAR-binding protein 0.0062 1 1
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.3513 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.1992 0.1992
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.3513 0.5
Giardia lamblia Pyruvate kinase 0.0033 0.3513 1
Chlamydia trachomatis pyruvate kinase 0.0033 0.3513 0.5
Echinococcus multilocularis pyruvate kinase 0.0033 0.3513 0.3513
Loa Loa (eye worm) pyruvate kinase 0.0033 0.3513 0.2518
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.3513 0.5
Plasmodium falciparum pyruvate kinase 0.0033 0.3513 1
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.3513 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3513 0.2518
Loa Loa (eye worm) pyruvate kinase 0.0033 0.3513 0.2518
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 1 1
Plasmodium vivax pyruvate kinase, putative 0.0033 0.3513 1
Mycobacterium ulcerans pyruvate kinase 0.0033 0.3513 0.5
Trypanosoma brucei pyruvate kinase 1 0.0033 0.3513 0.5
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.3513 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Leishmania major pyruvate kinase 0.0033 0.3513 0.5
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.1329 0.5
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.3513 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 1 1

Activities

No activities found for this compound.

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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