Detailed information for compound 1657487

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 265.308 | Formula: C13H19N3O3
  • H donors: 4 H acceptors: 3 LogP: 1.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@H](C(C)C)NC(=O)NCc1ccccc1
  • InChi: 1S/C13H19N3O3/c1-9(2)11(12(17)16-19)15-13(18)14-8-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,16,17)(H2,14,15,18)/t11-/m0/s1
  • InChiKey: HZKBATKEYOCGAD-NSHDSACASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Aminopeptidase N Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127217 All targets in OG5_127217
Echinococcus granulosus aminopeptidase N Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) peptidase family M1 containing protein Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127217 All targets in OG5_127217
Echinococcus multilocularis aminopeptidase N Get druggable targets OG5_127217 All targets in OG5_127217
Schistosoma japonicum ko:K01256 membrane alanyl aminopeptidase [EC3.4.11.2], putative Get druggable targets OG5_127217 All targets in OG5_127217
Brugia malayi Peptidase family M1 containing protein Get druggable targets OG5_127217 All targets in OG5_127217
Onchocerca volvulus Get druggable targets OG5_127217 All targets in OG5_127217
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 975 aa 29.1 %
Echinococcus multilocularis puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 981 aa 29.2 %
Echinococcus multilocularis puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 981 aa 28.8 %
Onchocerca volvulus Aminopeptidase N   963 aa 893 aa 32.0 %
Echinococcus multilocularis puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 988 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Onchocerca volvulus 0.0162 1 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0116 0.5971 0.5971
Loa Loa (eye worm) hypothetical protein 0.0162 1 1
Echinococcus multilocularis aldo keto reductase 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Mycobacterium ulcerans oxidoreductase 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Echinococcus granulosus aldo keto reductase 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0162 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0162 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0162 1 1
Trypanosoma cruzi aldo-keto reductase 0.0162 1 1
Echinococcus multilocularis aminopeptidase N 0.0143 0.8341 0.8341
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Loa Loa (eye worm) oxidoreductase 0.0162 1 1
Brugia malayi Peptidase family M1 containing protein 0.0143 0.8341 0.8341
Onchocerca volvulus 0.0162 1 1
Echinococcus granulosus aminopeptidase N 0.0143 0.8341 0.8341
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0047 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Giardia lamblia Aldose reductase 0.0162 1 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Giardia lamblia Aldose reductase 0.0162 1 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Onchocerca volvulus 0.0143 0.8341 0.8341
Loa Loa (eye worm) oxidoreductase 0.0162 1 1
Echinococcus multilocularis aldo keto reductase 0.0162 1 1
Leishmania major prostaglandin f synthase, putative 0.0162 1 1
Schistosoma mansoni aldo-keto reductase 0.0162 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Entamoeba histolytica aldose reductase, putative 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Schistosoma mansoni aldo-keto reductase 0.0162 1 1
Onchocerca volvulus 0.0162 1 1
Echinococcus granulosus aldehyde reductase 0.0115 0.5922 0.5922
Toxoplasma gondii aldose reductase, putative 0.0162 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Echinococcus multilocularis aldo keto reductase 0.0162 1 1
Echinococcus granulosus aldo keto reductase 0.0162 1 1
Trypanosoma brucei prostaglandin f synthase 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0162 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.4686 0.4686
Loa Loa (eye worm) oxidoreductase 0.0162 1 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.7056 0.7056
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0162 1 1
Plasmodium vivax aldehyde reductase, putative 0.0047 0 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0115 0.5922 0.5922
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0162 1 1
Onchocerca volvulus 0.0162 1 1
Echinococcus granulosus hypothetical protein 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0162 1 1
Loa Loa (eye worm) oxidoreductase 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0047 0 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0162 1 1
Leishmania major aldo-keto reductase-like protein 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Schistosoma mansoni pol-related 0.0162 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0162 1 1
Entamoeba histolytica aldose reductase, putative 0.0162 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0162 1 1
Echinococcus multilocularis aldo keto reductase 0.0162 1 1
Echinococcus granulosus aldo keto reductase 0.0162 1 1
Onchocerca volvulus 0.0162 1 1
Entamoeba histolytica aldose reductase, putative 0.0162 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0162 1 1
Loa Loa (eye worm) oxidoreductase 0.0162 1 1
Echinococcus multilocularis aldehyde reductase 0.0115 0.5922 0.5922
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0162 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0047 0 0.5
Onchocerca volvulus 0.0162 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17 uM Inhibition of pig kidney APN using L-Leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by UV/VIS spectrophotometry ChEMBL. 22607877

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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