Detailed information for compound 290134

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 220.271 | Formula: C11H16N4O
  • H donors: 2 H acceptors: 2 LogP: 1.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCNc1[nH]c(C)nc2c1ccn2
  • InChi: 1S/C11H16N4O/c1-3-16-7-6-13-11-9-4-5-12-10(9)14-8(2)15-11/h4-5H,3,6-7H2,1-2H3,(H2,12,13,14,15)
  • InChiKey: JFABQLCELOTMRL-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
Onchocerca volvulus 0.0156 0.3073 1
Onchocerca volvulus Peroxidasin homolog 0.0156 0.3073 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.014 0.014
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0233 0.501 0.501
Onchocerca volvulus 0.0156 0.3073 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0233 0.501 0.501
Schistosoma mansoni lipoxygenase 0.0163 0.3251 0.4013
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Onchocerca volvulus Peroxidasin homolog 0.0156 0.3073 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Echinococcus multilocularis expressed protein 0.0433 1 1
Schistosoma mansoni peroxidasin 0.0156 0.3073 0.3794
Trypanosoma brucei hypothetical protein, conserved 0.0247 0.5339 1
Brugia malayi Animal haem peroxidase family protein 0.0156 0.3073 1
Echinococcus granulosus peroxidasin 0.0156 0.3073 0.3073
Echinococcus multilocularis snurportin 1 0.0357 0.81 0.81
Loa Loa (eye worm) hypothetical protein 0.0039 0.014 0.0173
Loa Loa (eye worm) animal heme peroxidase 0.0156 0.3073 0.3794
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0357 0.81 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0165 0.3308 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0156 0.3073 0.3794
Echinococcus multilocularis Polycystic kidney disease protein 0.0039 0.014 0.014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0156 0.3073 0.3794
Plasmodium falciparum LCCL domain-containing protein 0.0039 0.014 1
Schistosoma mansoni rab6-interacting 0.0039 0.014 0.0173
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Loa Loa (eye worm) doublecortin family protein 0.0039 0.014 0.0173
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Leishmania major hypothetical protein, conserved 0.0247 0.5339 0.5
Schistosoma mansoni polycystin 1-related 0.0039 0.014 0.0173
Schistosoma mansoni lipoxygenase 0.0233 0.501 0.6186
Schistosoma mansoni hypothetical protein 0.0039 0.014 0.0173
Brugia malayi Animal haem peroxidase family protein 0.0156 0.3073 1
Onchocerca volvulus Peroxidase homolog 0.0156 0.3073 1
Brugia malayi Doublecortin family protein 0.0039 0.014 0.0457
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Schistosoma mansoni rab6-interacting 0.0039 0.014 0.0173
Schistosoma mansoni loxhd1 0.0039 0.014 0.0173
Brugia malayi hypothetical protein 0.0156 0.3073 1
Brugia malayi Animal haem peroxidase family protein 0.0156 0.3073 1
Echinococcus granulosus snurportin 1 0.0357 0.81 0.81
Giardia lamblia Fructose-bisphosphate aldolase 0.0339 0.7648 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Onchocerca volvulus Dual oxidase homolog 0.0156 0.3073 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Trypanosoma cruzi hypothetical protein, conserved 0.0247 0.5339 0.5
Schistosoma mansoni hypothetical protein 0.0357 0.81 1
Onchocerca volvulus 0.0156 0.3073 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Brugia malayi Animal haem peroxidase family protein 0.0156 0.3073 1
Echinococcus multilocularis peroxidasin 0.0156 0.3073 0.3073
Trypanosoma cruzi hypothetical protein, conserved 0.0247 0.5339 0.5
Brugia malayi hypothetical protein 0.0039 0.014 0.0457
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Brugia malayi hypothetical protein 0.0039 0.014 0.0457
Brugia malayi Peroxidasin 0.0156 0.3073 1
Echinococcus granulosus Polycystic kidney disease protein 0.0039 0.014 0.014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0156 0.3073 0.3794
Brugia malayi RNA, U transporter 1 0.0095 0.1543 0.5023
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.014 0.014
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.014 0.014
Echinococcus multilocularis RUN 0.0039 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0165 0.3308 0.5
Schistosoma mansoni peroxidasin 0.0156 0.3073 0.3794
Brugia malayi Blistered cuticle protein 3 0.0156 0.3073 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Plasmodium vivax multidomain scavenger receptor, putative 0.0039 0.014 1
Treponema pallidum fructose-bisphosphate aldolase 0.0339 0.7648 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.014 0.014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7648 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0165 0.3308 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Onchocerca volvulus Peroxidase homolog 0.0156 0.3073 1
Brugia malayi Animal haem peroxidase family protein 0.0156 0.3073 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.014 0.0173
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Loa Loa (eye worm) hypothetical protein 0.0156 0.3073 0.3794
Loa Loa (eye worm) animal heme peroxidase 0.0156 0.3073 0.3794
Echinococcus granulosus RUN 0.0039 0.014 0.014
Onchocerca volvulus Chorion peroxidase homolog 0.0156 0.3073 1

Activities

Activity type Activity value Assay description Source Reference
Log 1/E50 (functional) = -1.37 Concentration at which 50% of maximum response of callus yield derived from Nicotiana tabacum var is obtained ChEMBL. 6854586

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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