Detailed information for compound 782238

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.392 | Formula: C18H22N4O3
  • H donors: 1 H acceptors: 3 LogP: 2.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOC(=C1C(=Nc2n(C1c1cccc(c1)OC)ncn2)C)O
  • InChi: 1S/C18H22N4O3/c1-4-5-9-25-17(23)15-12(2)21-18-19-11-20-22(18)16(15)13-7-6-8-14(10-13)24-3/h6-8,10-11,16,23H,4-5,9H2,1-3H3
  • InChiKey: JHAFCHOLDGCVEL-UHFFFAOYSA-N  

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
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.2589 1
Brugia malayi intermediate filament protein 0.0033 0.1693 0.1693
Echinococcus granulosus lamin dm0 0.0033 0.1693 0.6539
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2589 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0439 0.1695
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.2589 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.2589 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.1693 0.6539
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.2589 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.2241 0.5
Loa Loa (eye worm) inositol-1 0.0045 0.2589 0.2589
Echinococcus granulosus lamin 0.0033 0.1693 0.6539
Schistosoma mansoni hypothetical protein 0.0043 0.2503 0.9667
Schistosoma mansoni inositol monophosphatase 0.0045 0.2589 1
Onchocerca volvulus 0.0033 0.1693 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0394 0.0394
Loa Loa (eye worm) hypothetical protein 0.0033 0.1693 0.1693
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1693 0.1693
Loa Loa (eye worm) hypothetical protein 0.01 0.6692 0.6692
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2503 0.9667
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.2241 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2503 0.9667
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2589 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2589 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2589 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.6692 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0439 0.1695
Echinococcus multilocularis musashi 0.0033 0.1693 0.6539
Schistosoma mansoni lamin 0.0033 0.1693 0.6539
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0567 0.0567
Brugia malayi Inositol-1 0.0045 0.2589 0.2589
Loa Loa (eye worm) hypothetical protein 0.0016 0.0439 0.0439
Echinococcus granulosus intermediate filament protein 0.0033 0.1693 0.6539
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.2589 0.0206
Echinococcus multilocularis lamin 0.0033 0.1693 0.6539
Loa Loa (eye worm) hypothetical protein 0.0032 0.1649 0.1649
Onchocerca volvulus 0.0033 0.1693 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.2589 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1693 0.1693
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2503 0.9667
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2589 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0394 0.0394
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0567 0.0567
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2589 0.5
Schistosoma mansoni lamin 0.0033 0.1693 0.6539
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.2589 1
Brugia malayi hypothetical protein 0.0043 0.2503 0.2503
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1693 0.1693
Schistosoma mansoni inositol monophosphatase 0.0045 0.2589 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.1693 0.6539
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.6692 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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