Detailed information for compound 818728

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.521 | Formula: C24H30N4O2
  • H donors: 0 H acceptors: 2 LogP: 3.52 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)CCc1ccccc1
  • InChi: 1S/C24H30N4O2/c1-3-30-22-17-20(9-11-21(22)29-2)18-27-14-13-24-26-25-23(28(24)16-15-27)12-10-19-7-5-4-6-8-19/h4-9,11,17H,3,10,12-16,18H2,1-2H3
  • InChiKey: XULMISHNBDAGMU-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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.0379 1
Onchocerca volvulus 0.0889 1 1
Loa Loa (eye worm) hexokinase 0.0558 0.6105 0.6084
Echinococcus multilocularis hexokinase type 2 0.0889 1 1
Trypanosoma cruzi hexokinase, putative 0.0889 1 1
Loa Loa (eye worm) hexokinase 0.0889 1 1
Echinococcus multilocularis hexokinase 0.0889 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0379 0.034
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0082 0.0647
Plasmodium falciparum hexokinase 0.0889 1 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0 0.5
Plasmodium vivax hexokinase, putative 0.0889 1 0.5
Toxoplasma gondii hexokinase 0.0889 1 1
Loa Loa (eye worm) hexokinase 0.0889 1 1
Schistosoma mansoni hexokinase 0.0889 1 1
Trypanosoma brucei hexokinase 0.0889 1 1
Entamoeba histolytica hexokinase 1 0.0889 1 1
Brugia malayi follicle stimulating hormone receptor 0.027 0.272 0.2691
Echinococcus multilocularis hexokinase 0.0889 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0276 0.2787 0.2758
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0379 0.0328
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0379 0.034
Echinococcus granulosus hexokinase 0.0889 1 1
Brugia malayi Hexokinase family protein 0.0275 0.2781 0.2752
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0123 0.1553
Brugia malayi Heterochromatin protein 1 0.0081 0.0502 0.0464
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0379 1
Trypanosoma brucei hexokinase 0.0889 1 1
Schistosoma mansoni chromobox protein 0.0081 0.0502 0.0464
Schistosoma mansoni inositol monophosphatase 0.0043 0.0053 0.0013
Loa Loa (eye worm) hypothetical protein 0.0046 0.0082 0.0029
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.0502 0.0451
Onchocerca volvulus 0.0889 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0053 0.0013
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0379 1
Brugia malayi hexokinase type II 0.0283 0.287 0.2842
Loa Loa (eye worm) hexokinase type II 0.0889 1 1
Schistosoma mansoni inositol monophosphatase 0.0043 0.0053 0.0013
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0502 1
Entamoeba histolytica hexokinase 2 0.0889 1 1
Onchocerca volvulus 0.0056 0.0208 0.0127
Brugia malayi Hexokinase family protein 0.0889 1 1
Schistosoma mansoni chromobox protein 0.0081 0.0502 0.0464
Loa Loa (eye worm) hypothetical protein 0.0606 0.6677 0.6659
Brugia malayi Inositol-1 0.0043 0.0053 0.0013
Leishmania major hexokinase, putative 0.0889 1 1
Onchocerca volvulus 0.0558 0.6105 0.6073
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0053 0.5
Echinococcus granulosus hexokinase 0.0889 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.027 0.272 0.2682
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0123 0.0041
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0379 0.034
Schistosoma mansoni hypothetical protein 0.0056 0.0208 0.0169
Brugia malayi chromobox protein homolog 3 0.0046 0.0082 0.0042
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0053 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0082 0.0647
Brugia malayi hypothetical protein 0.0276 0.2787 0.2758
Echinococcus granulosus chromobox protein 1 0.0081 0.0502 0.0464
Echinococcus granulosus survival motor neuron protein 1 0.0276 0.2787 0.2758
Echinococcus granulosus hexokinase type 2 0.0889 1 1
Loa Loa (eye worm) hexokinase 0.0275 0.2781 0.2743
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0502 1
Onchocerca volvulus 0.0889 1 1
Echinococcus multilocularis chromobox protein 1 0.0081 0.0502 0.0464
Treponema pallidum hexokinase (hxk) 0.0889 1 0.5
Trypanosoma cruzi hexokinase, putative 0.0889 1 1
Leishmania major hexokinase, putative 0.0889 1 1
Echinococcus multilocularis hexokinase 0.0889 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.0379 0.0328
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0208 0.0169
Onchocerca volvulus Hexokinase homolog 0.0558 0.6105 0.6073
Trypanosoma brucei hexokinase, putative 0.0889 1 1
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0123 0.1553
Echinococcus granulosus chromobox protein 1 0.0081 0.0502 0.0464
Loa Loa (eye worm) hypothetical protein 0.0283 0.287 0.2832
Loa Loa (eye worm) hypothetical protein 0.0283 0.287 0.2832
Brugia malayi Hexokinase family protein 0.0558 0.6105 0.6089
Echinococcus granulosus hexokinase 0.0889 1 1
Schistosoma mansoni survival motor neuron protein 0.0056 0.0208 0.0169
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0053 0.0013
Echinococcus multilocularis chromobox protein 1 0.0081 0.0502 0.0464
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0379 1
Loa Loa (eye worm) hypothetical protein 0.0276 0.2787 0.2749
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0379 0.034

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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