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