Detailed information for compound 1145765

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 165.212 | Formula: C9H13N2O+
  • H donors: 1 H acceptors: 1 LogP: 1.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC[n+]1cccc(c1)/C=N/O
  • InChi: 1S/C9H12N2O/c1-2-5-11-6-3-4-9(8-11)7-10-12/h3-4,6-8H,2,5H2,1H3/p+1/b10-7+
  • InChiKey: GJWUXNHSHHZJPW-JXMROGBWSA-O  

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
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.1003 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1003 0.7086
Brugia malayi hypothetical protein 0.0023 0.0414 0.0389
Loa Loa (eye worm) hypothetical protein 0.0027 0.0585 0.0585
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.9169 0.9169
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0064 0.2143 0.2143
Schistosoma mansoni rab6-interacting 0.0023 0.0414 0.0171
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0247 0.5
Schistosoma mansoni lamin 0.0027 0.0585 0.0346
Loa Loa (eye worm) hypothetical protein 0.0023 0.0414 0.0414
Loa Loa (eye worm) inositol-1 0.0037 0.1003 0.1003
Loa Loa (eye worm) hypothetical protein 0.0123 0.4622 0.4622
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0247 0.5
Schistosoma mansoni lamin 0.0027 0.0585 0.0346
Echinococcus granulosus intermediate filament protein 0.0027 0.0585 0.0585
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0841 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1003 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0247 0.0206
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.1003 0.1003
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0414 0.0414
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.1003 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0585 0.0346
Loa Loa (eye worm) hypothetical protein 0.0026 0.0565 0.0565
Brugia malayi Doublecortin family protein 0.0023 0.0414 0.0389
Loa Loa (eye worm) hypothetical protein 0.01 0.3673 0.3673
Schistosoma mansoni rab6-interacting 0.0023 0.0414 0.0171
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0414 0.0414
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0414 1
Echinococcus granulosus lamin dm0 0.0027 0.0585 0.0585
Onchocerca volvulus 0.0027 0.0585 0.0406
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0585 0.0585
Brugia malayi Sodium/calcium exchanger protein 0.01 0.3673 0.3966
Schistosoma mansoni lipoxygenase 0.0023 0.0414 0.0171
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0414 0.0414
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0414 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0044 0.1314 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.006 0.006
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0414 0.0414
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0585 0.0585
Brugia malayi follicle stimulating hormone receptor 0.0231 0.9169 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1003 1
Echinococcus multilocularis lamin dm0 0.0027 0.0585 0.0585
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.4905 0.4905
Schistosoma mansoni hypothetical protein 0.0023 0.0414 0.0171
Echinococcus granulosus RUN 0.0023 0.0414 0.0414
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.1003 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0585 0.0577
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.4905 0.4905
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.1003 0.7086
Schistosoma mansoni sodium/calcium exchanger 0.025 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0414 0.0414
Echinococcus multilocularis musashi 0.0027 0.0585 0.0585
Echinococcus multilocularis lamin 0.0027 0.0585 0.0585
Loa Loa (eye worm) solute carrier family 8 0.025 1 1
Echinococcus granulosus lamin 0.0027 0.0585 0.0585
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0414 0.0414
Onchocerca volvulus Huntingtin homolog 0.0123 0.4622 1
Schistosoma mansoni lipoxygenase 0.0064 0.2143 0.1943
Brugia malayi hypothetical protein 0.0123 0.4622 0.5008
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1003 1
Onchocerca volvulus 0.0027 0.0585 0.0406
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.1003 0.1003
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0064 0.2143 0.2143
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1003 0.7086
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0044 0.1314 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0414 0.0414
Schistosoma mansoni loxhd1 0.0023 0.0414 0.0171
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0247 0.0247
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0247 0.0247
Brugia malayi hypothetical protein 0.0023 0.0414 0.0389
Onchocerca volvulus Huntingtin homolog 0.0123 0.4622 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.1003 0.0775
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0841 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0414 0.0414
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.1003 1
Brugia malayi MH2 domain containing protein 0.0129 0.4905 0.5319
Loa Loa (eye worm) hypothetical protein 0.0123 0.4622 0.4622
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0247 0.0247
Brugia malayi Inositol-1 0.0037 0.1003 0.1036
Schistosoma mansoni inositol monophosphatase 0.0037 0.1003 0.0775
Echinococcus multilocularis sodium calcium exchanger 0.025 1 1
Brugia malayi intermediate filament protein 0.0027 0.0585 0.0577
Echinococcus multilocularis RUN 0.0023 0.0414 0.0414
Schistosoma mansoni polycystin 1-related 0.0023 0.0414 0.0171
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1003 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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