Detailed information for compound 1088147

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.362 | Formula: C18H19N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N[C@H](C(=O)N/N=C/c1ccccc1)C
  • InChi: 1S/C18H19N3O3/c1-13(17(22)21-19-12-14-6-4-3-5-7-14)20-18(23)15-8-10-16(24-2)11-9-15/h3-13H,1-2H3,(H,20,23)(H,21,22)/b19-12+/t13-/m0/s1
  • InChiKey: LJSIXNOCTIVREX-HCZVKUGISA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0024
Trichomonas vaginalis WD repeat domain, putative 0.0922 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0402 0.0402
Brugia malayi Muscleblind-like protein 0.031 0.3243 0.3243
Loa Loa (eye worm) WD40 repeat protein 0.0922 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0024 0.0024
Brugia malayi histone deacetylase 3 (HD3) 0.0064 0.0521 0.0521
Echinococcus granulosus muscleblind protein 0.031 0.3243 0.3243
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.053 0.053
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0064 0.0521 0.0499
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.053 1
Echinococcus granulosus histone deacetylase 6 0.0018 0.0016 0.0016
Toxoplasma gondii histone deacetylase HDAC2 0.0064 0.0521 0.9828
Echinococcus granulosus protein will die slowly 0.0922 1 1
Brugia malayi Histone deacetylase family protein 0.0018 0.0016 0.0016
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0521 0.0499
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0024 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0521 0.0499
Loa Loa (eye worm) histone deacetylase 3 0.0064 0.0521 0.0521
Echinococcus granulosus histone deacetylase 8 0.0018 0.0016 0.0016
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0024 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0216 0.0216
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0024
Toxoplasma gondii histone deacetylase HDAC3 0.0064 0.0521 0.9828
Echinococcus multilocularis protein will die slowly 0.0922 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0018 0.0016 0.0016
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0521 0.0499
Echinococcus granulosus histone deacetylase 1 0.0064 0.0521 0.0521
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0064 0.0521 0.0499
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0024 0.0024
Brugia malayi histone deacetylase 11 0.0018 0.0016 0.0016
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.053 1
Trypanosoma brucei histone deacetylase 1 0.0064 0.0521 1
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.031 0.3243 0.3243
Loa Loa (eye worm) hypothetical protein 0.0064 0.0521 0.0521
Brugia malayi Histone deacetylase family protein 0.0018 0.0016 0.0016
Echinococcus granulosus histone deacetylase 6 0.0018 0.0016 0.0016
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.053 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0016
Echinococcus multilocularis histone deacetylase 1 0.0064 0.0521 0.0521
Echinococcus multilocularis muscleblind protein 0.031 0.3243 0.3243
Trypanosoma cruzi histone deacetylase 1, putative 0.0064 0.0521 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.053 1
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0016 0.0016
Leishmania major histone deacetylase, putative 0.0064 0.0521 0.9828
Loa Loa (eye worm) histone deacetylase 0.0018 0.0016 0.0016
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0064 0.0521 0.0499
Echinococcus multilocularis histone deacetylase 7 0.0018 0.0016 0.0016
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0024 0.0024
Plasmodium falciparum histone deacetylase 1 0.0064 0.0521 1
Plasmodium vivax histone deacetylase 1, putative 0.0064 0.0521 1
Schistosoma mansoni hypothetical protein 0.0922 1 1
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0016 0.0016
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0024 0.0157
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.053 0.053
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0402 0.0402
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0016 0.0016
Giardia lamblia Histone deacetylase 0.0064 0.0521 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0216 0.0216
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0024 0.0154
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0024 0.0157
Brugia malayi histone deacetylase 1 (HD1) 0.0064 0.0521 0.0521
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.053 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0024 0.0157
Brugia malayi Histone deacetylase 1 0.0064 0.0521 0.0521
Loa Loa (eye worm) hypothetical protein 0.031 0.3243 0.3243
Echinococcus granulosus histone deacetylase 3 0.0064 0.0521 0.0521
Onchocerca volvulus 0.0922 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0521 0.0499
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0402 0.0402
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.053 0.053
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0016 0.0016
Schistosoma mansoni histone deacetylase 0.0064 0.0521 0.0521
Schistosoma mansoni histone deacetylase 0.0064 0.0521 0.0521
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.053 1
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0521 0.0499
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0024 0.0024
Schistosoma mansoni histone deacetylase 1 2 3 0.0018 0.0016 0.0016
Leishmania major histone deacetylase, putative 0.0064 0.0521 0.9828
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0016 0.0016
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0521 0.0499
Trypanosoma cruzi histone deacetylase 1, putative 0.0064 0.0521 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0024 0.0154
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0024 0.0157
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0402 0.0402
Echinococcus granulosus histone deacetylase 6 0.0018 0.0016 0.0016
Echinococcus multilocularis histone deacetylase 0.0018 0.0016 0.0016
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0024 0.0157
Loa Loa (eye worm) histone deacetylase 1 0.0064 0.0521 0.0521
Loa Loa (eye worm) histone deacetylase 7A 0.0018 0.0016 0.0016
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.053 0.053
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0016 0.0016
Entamoeba histolytica histone deacetylase, putative 0.0064 0.0521 1
Echinococcus granulosus histone deacetylase 0.0018 0.0016 0.0016
Echinococcus granulosus histone deacetylase 7 0.0018 0.0016 0.0016
Echinococcus multilocularis muscleblind protein 1 0.031 0.3243 0.3243
Echinococcus multilocularis histone deacetylase 8 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0036 0.0216 0.0216
Echinococcus multilocularis histone deacetylase 3 0.0064 0.0521 0.0521

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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