Detailed information for compound 798349

Basic information

Technical information
  • TDR Targets ID: 798349
  • Name: 5-amino-N-(4-bromophenyl)-1-[2-[(4-methylphen yl)amino]-2-oxoethyl]triazole-4-carboxamide
  • MW: 429.271 | Formula: C18H17BrN6O2
  • H donors: 3 H acceptors: 4 LogP: 3.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NC(=O)Cn1nnc(c1N)C(=O)Nc1ccc(cc1)Br
  • InChi: 1S/C18H17BrN6O2/c1-11-2-6-13(7-3-11)21-15(26)10-25-17(20)16(23-24-25)18(27)22-14-8-4-12(19)5-9-14/h2-9H,10,20H2,1H3,(H,21,26)(H,22,27)
  • InChiKey: XDUIZCHKMNNYQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-amino-N-(4-bromophenyl)-1-[2-[(4-methylphenyl)amino]-2-oxo-ethyl]triazole-4-carboxamide
  • 5-amino-N-(4-bromophenyl)-1-[2-[(4-methylphenyl)amino]-2-oxoethyl]-4-triazolecarboxamide
  • 5-amino-N-(4-bromophenyl)-1-[2-keto-2-[(4-methylphenyl)amino]ethyl]triazole-4-carboxamide
  • 5-amino-N-(4-bromophenyl)-1-[2-[(4-methylphenyl)amino]-2-oxo-ethyl]-1,2,3-triazole-4-carboxamide

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
Onchocerca volvulus 0.0036 0.0002 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.7138 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0002 0.001
Mycobacterium ulcerans hypothetical protein 0.0151 0.4266 1
Leishmania major hypothetical protein, conserved 0.0036 0.0002 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0002 0.5
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Brugia malayi beta-lactamase 0.0036 0.0002 0.001
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0151 0.4266 1
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Onchocerca volvulus 0.0036 0.0002 0.5
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0151 0.4266 0.5975
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0002 0.0002
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 1 1
Brugia malayi RNA, U transporter 1 0.0082 0.1693 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0002 0.0002
Brugia malayi beta-lactamase family protein 0.0036 0.0002 0.001
Toxoplasma gondii ABC1 family protein 0.0036 0.0002 0.5
Echinococcus multilocularis snurportin 1 0.0306 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0002 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0002 0.001
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0151 0.4266 1
Onchocerca volvulus 0.0036 0.0002 0.5
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0002 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.0151 0.4266 0.5975
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0002 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0002 0.0002
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0151 0.4266 1
Schistosoma mansoni hypothetical protein 0.0306 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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