Detailed information for compound 846913

Basic information

Technical information
  • TDR Targets ID: 846913
  • Name: 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-m ethyltriazole-4-carboxamide
  • MW: 348.735 | Formula: C16H11ClF2N4O
  • H donors: 1 H acceptors: 3 LogP: 3.74 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)NC(=O)c1nnn(c1C)c1cccc(c1)Cl
  • InChi: 1S/C16H11ClF2N4O/c1-9-15(16(24)20-14-6-5-11(18)8-13(14)19)21-22-23(9)12-4-2-3-10(17)7-12/h2-8H,1H3,(H,20,24)
  • InChiKey: VCXSOKKVBMNJAA-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-triazole-4-carboxamide
  • 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-4-triazolecarboxamide
  • 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,3-triazole-4-carboxamide
  • ZINC04316316

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
Loa Loa (eye worm) carboxylesterase 0.0246 0.3328 0.3328
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0655 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0041 0 0.5
Echinococcus multilocularis synaptic glycoprotein sc2 0.0129 0.1432 0.4304
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0129 0.1432 0.1432
Loa Loa (eye worm) hypothetical protein 0.0246 0.3328 0.3328
Mycobacterium ulcerans hypothetical protein 0.0655 1 1
Brugia malayi Carboxylesterase family protein 0.0246 0.3328 0.3328
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0655 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1432 0.1432
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0129 0.1432 0.1432
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0129 0.1432 0.1432
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0246 0.3328 1
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0129 0.1432 0.4304
Giardia lamblia Synaptic glycoprotein SC2 0.0129 0.1432 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0655 1 1
Plasmodium falciparum polyprenol reductase, putative 0.0129 0.1432 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0655 1 1
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0655 1 0.5
Brugia malayi Synaptic glycoprotein SC2 0.0129 0.1432 0.1432
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0655 1 1
Echinococcus granulosus acetylcholinesterase 0.0246 0.3328 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0246 0.3328 0.3328
Echinococcus multilocularis acetylcholinesterase 0.0246 0.3328 1
Plasmodium vivax polyprenol reductase, putative 0.0129 0.1432 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.1432 0.1432
Echinococcus multilocularis acetylcholinesterase 0.0246 0.3328 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.1432 0.1432
Loa Loa (eye worm) hypothetical protein 0.0246 0.3328 0.3328
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0655 1 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0655 1 1
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0129 0.1432 0.4304
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0655 1 1
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0129 0.1432 0.4304
Loa Loa (eye worm) hypothetical protein 0.0129 0.1432 0.1432
Brugia malayi Carboxylesterase family protein 0.0246 0.3328 0.3328
Echinococcus granulosus acetylcholinesterase 0.0246 0.3328 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0129 0.1432 0.1432
Echinococcus multilocularis carboxylesterase 5A 0.0246 0.3328 1
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0129 0.1432 0.5
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0129 0.1432 0.5
Loa Loa (eye worm) hypothetical protein 0.0655 1 1
Echinococcus granulosus carboxylesterase 5A 0.0246 0.3328 1
Echinococcus granulosus synaptic glycoprotein sc2 0.0129 0.1432 0.4304
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0129 0.1432 0.4304
Onchocerca volvulus 0.0129 0.1432 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0041 0 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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