Detailed information for compound 769514

Basic information

Technical information
  • TDR Targets ID: 769514
  • Name: 2-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]-[1, 2,4]triazino[3,2-b]benzimidazol-3-one
  • MW: 363.327 | Formula: C18H13N5O4
  • H donors: 0 H acceptors: 4 LogP: 1.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1c2nc(=O)c(nn2c2c1cccc2)C
  • InChi: 1S/C18H13N5O4/c1-11-17(25)19-18-21(14-4-2-3-5-15(14)22(18)20-11)10-16(24)12-6-8-13(9-7-12)23(26)27/h2-9H,10H2,1H3
  • InChiKey: DYEIMJPCGRSQHV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-5-[2-(4-nitrophenyl)-2-oxo-ethyl]-[1,2,4]triazino[3,2-b]benzimidazol-3-one
  • 5-[2-keto-2-(4-nitrophenyl)ethyl]-2-methyl-[1,2,4]triazino[3,2-b]benzimidazol-3-one
  • BAS 01843268
  • Oprea1_322027
  • Oprea1_813740
  • ZINC00971861
  • AG-690/15433534

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
Entamoeba histolytica hypothetical protein 0.0072 0.2801 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.117 0.4175
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.2801 0.4793
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1709 0.2925
Onchocerca volvulus 0.0036 0.117 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.117 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.117 0.2176
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1709 0.2925
Brugia malayi beta-lactamase family protein 0.0036 0.117 0.4175
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.117 0.2001
Mycobacterium ulcerans hypothetical protein 0.0036 0.117 0.5
Onchocerca volvulus 0.0036 0.117 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.117 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1709 0.318
Plasmodium vivax hypothetical protein, conserved 0.0036 0.117 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.5375 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.117 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.117 0.5
Entamoeba histolytica hypothetical protein 0.0072 0.2801 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.117 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.117 0.6843
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1709 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.117 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.117 0.4175
Mycobacterium ulcerans lipase LipD 0.0036 0.117 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0138 0.5844 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.117 0.6843
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.2801 0.5212
Loa Loa (eye worm) hypothetical protein 0.0036 0.117 0.6843
Leishmania major hypothetical protein, conserved 0.0036 0.117 0.5
Mycobacterium leprae conserved hypothetical protein 0.0036 0.117 0.5
Brugia malayi beta-lactamase 0.0036 0.117 0.4175
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1709 0.6101
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.117 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.117 0.6843
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.117 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1709 0.2925
Schistosoma mansoni thyroid hormone receptor 0.0138 0.5844 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1709 0.2925
Schistosoma mansoni hypothetical protein 0.0128 0.5375 0.9197
Loa Loa (eye worm) beta-lactamase 0.0036 0.117 0.6843
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.5375 0.9197
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.2801 0.4793
Schistosoma mansoni thyroid hormone receptor 0.0138 0.5844 1
Trichomonas vaginalis esterase, putative 0.0036 0.117 0.5
Entamoeba histolytica hypothetical protein 0.0072 0.2801 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.117 0.6843
Toxoplasma gondii ABC1 family protein 0.0036 0.117 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.117 0.2001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1709 0.318
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1709 0.2925
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.117 0.2001
Brugia malayi hypothetical protein 0.0072 0.2801 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.117 0.5
Entamoeba histolytica hypothetical protein 0.0072 0.2801 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.117 0.6843
Schistosoma mansoni hypothetical protein 0.0072 0.2801 0.4793
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.117 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.117 0.6843
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.117 0.5
Onchocerca volvulus 0.0036 0.117 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.117 0.5

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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