Detailed information for compound 1462720

Basic information

Technical information
  • TDR Targets ID: 1462720
  • Name: 1-[2-[4-(benzoylamino)phenyl]-2-oxoethyl]pyri din-1-ium-3-carboxamide
  • MW: 360.386 | Formula: C21H18N3O3+
  • H donors: 2 H acceptors: 3 LogP: 2.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)NC(=O)c1ccccc1)C[n+]1cccc(c1)C(=O)N
  • InChi: 1S/C21H17N3O3/c22-20(26)17-7-4-12-24(13-17)14-19(25)15-8-10-18(11-9-15)23-21(27)16-5-2-1-3-6-16/h1-13H,14H2,(H2-,22,23,25,26,27)/p+1
  • InChiKey: XJRCJIDCFDOMNF-UHFFFAOYSA-O  

Network

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Synonyms

  • 1-[2-[4-(benzoylamino)phenyl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide
  • 1-[2-oxo-2-[4-[(oxo-phenylmethyl)amino]phenyl]ethyl]-3-pyridin-1-iumcarboxamide
  • 1-[2-[4-(benzoylamino)phenyl]-2-keto-ethyl]pyridin-1-ium-3-carboxamide
  • 1-[2-oxo-2-[4-(phenylcarbonylamino)phenyl]ethyl]pyridin-1-ium-3-carboxamide
  • ZINC01882110
  • EU-0033778

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 multilocularis aldo keto reductase 0.0401 0.2778 0.2778
Loa Loa (eye worm) oxidoreductase 0.0401 0.2778 0.2778
Onchocerca volvulus 0.0401 0.2778 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0678 0.5639 1
Onchocerca volvulus 0.0401 0.2778 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0401 0.2778 0.4927
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0401 0.2778 0.2778
Loa Loa (eye worm) oxidoreductase 0.0401 0.2778 0.2778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Leishmania major prostaglandin f synthase, putative 0.0401 0.2778 0.4927
Mycobacterium ulcerans hypothetical protein 0.0678 0.5639 1
Plasmodium falciparum esterase, putative 0.0678 0.5639 1
Loa Loa (eye worm) oxidoreductase 0.0401 0.2778 0.2778
Echinococcus granulosus hypothetical protein 0.0401 0.2778 0.2778
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0678 0.5639 1
Echinococcus multilocularis aldo keto reductase 0.0401 0.2778 0.2778
Schistosoma mansoni fatty-acid amide hydrolase 0.11 1 1
Onchocerca volvulus 0.0401 0.2778 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0678 0.5639 1
Schistosoma mansoni amidase 0.11 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Trypanosoma brucei monoglyceride lipase, putative 0.0678 0.5639 1
Toxoplasma gondii aldose reductase, putative 0.0401 0.2778 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0678 0.5639 1
Onchocerca volvulus 0.0401 0.2778 0.5
Echinococcus multilocularis aldo keto reductase 0.0401 0.2778 0.2778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0401 0.2778 0.2778
Loa Loa (eye worm) hypothetical protein 0.11 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0401 0.2778 0.2778
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Onchocerca volvulus 0.0401 0.2778 0.5
Schistosoma mansoni aldo-keto reductase 0.0401 0.2778 0.2778
Leishmania major aldo-keto reductase-like protein 0.0401 0.2778 0.4927
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0401 0.2778 0.4927
Echinococcus granulosus fatty acid amide hydrolase 1 0.11 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0401 0.2778 0.4927
Plasmodium vivax PST-A protein 0.0678 0.5639 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Echinococcus granulosus aldo keto reductase 0.0401 0.2778 0.2778
Trypanosoma brucei monoglyceride lipase, putative 0.0678 0.5639 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.11 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0678 0.5639 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0401 0.2778 0.2778
Onchocerca volvulus 0.0401 0.2778 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Echinococcus multilocularis aldo keto reductase 0.0401 0.2778 0.2778
Echinococcus multilocularis fatty acid amide hydrolase 1 0.11 1 1
Schistosoma mansoni aldo-keto reductase 0.0401 0.2778 0.2778
Loa Loa (eye worm) oxidoreductase 0.0401 0.2778 0.2778
Trichomonas vaginalis conserved hypothetical protein 0.0678 0.5639 1
Trypanosoma brucei aldo-keto reductase, putative 0.0401 0.2778 0.4927
Trypanosoma cruzi aldo-keto reductase 0.0401 0.2778 0.4927
Echinococcus granulosus fatty acid amide hydrolase 1 0.11 1 1
Echinococcus granulosus aldo keto reductase 0.0401 0.2778 0.2778
Mycobacterium tuberculosis Probable oxidoreductase 0.0401 0.2778 0.4927
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Schistosoma mansoni pol-related 0.0401 0.2778 0.2778
Loa Loa (eye worm) oxidoreductase 0.0401 0.2778 0.2778
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0678 0.5639 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0678 0.5639 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Plasmodium falciparum lysophospholipase, putative 0.0678 0.5639 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0401 0.2778 0.4927
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0133 0 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0285 0.1576 0.2796
Trypanosoma cruzi monoglyceride lipase, putative 0.0678 0.5639 1
Echinococcus granulosus aldo keto reductase 0.0401 0.2778 0.2778
Giardia lamblia Aldose reductase 0.0401 0.2778 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Plasmodium falciparum lysophospholipase, putative 0.0678 0.5639 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0678 0.5639 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0401 0.2778 0.2778
Leishmania major monoglyceride lipase, putative 0.0678 0.5639 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0133 0 0.5
Echinococcus multilocularis aldehyde reductase 0.0285 0.1576 0.1576
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Trichomonas vaginalis conserved hypothetical protein 0.0678 0.5639 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0133 0 0.5
Giardia lamblia Aldose reductase 0.0401 0.2778 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0678 0.5639 1
Trypanosoma brucei prostaglandin f synthase 0.0401 0.2778 0.4927
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0678 0.5639 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2778 0.2778
Echinococcus granulosus aldehyde reductase 0.0285 0.1576 0.1576
Mycobacterium ulcerans oxidoreductase 0.0401 0.2778 0.4927
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0401 0.2778 0.2778
Plasmodium falciparum lysophospholipase, putative 0.0678 0.5639 1
Mycobacterium ulcerans lysophospholipase 0.0678 0.5639 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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