Detailed information for compound 2074949

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.322 | Formula: C13H19N5O3
  • H donors: 2 H acceptors: 5 LogP: 0.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1onc(n1)C1CCN(CC1)Cc1ncc[nH]1.OC=O
  • InChi: 1S/C12H17N5O.CH2O2/c1-9-15-12(16-18-9)10-2-6-17(7-3-10)8-11-13-4-5-14-11;2-1-3/h4-5,10H,2-3,6-8H2,1H3,(H,13,14);1H,(H,2,3)
  • InChiKey: XNPDEDACBOAAAB-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
Echinococcus granulosus aldo keto reductase family 1, member B4 0.021 0.2782 0.2755
Echinococcus multilocularis voltage gated potassium channel subunit 0.021 0.2782 0.2755
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0151 0.1964 0.1933
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Schistosoma mansoni aldo-keto reductase 0.0724 1 1
Echinococcus multilocularis aldo keto reductase 0.0724 1 1
Echinococcus granulosus aldo keto reductase 0.0724 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.021 0.2782 0.2755
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Brugia malayi hypothetical protein 0.0535 0.7348 0.7338
Leishmania major prostaglandin f synthase, putative 0.0724 1 1
Trypanosoma brucei prostaglandin f synthase 0.0724 1 1
Mycobacterium ulcerans oxidoreductase 0.0724 1 1
Echinococcus multilocularis aldehyde reductase 0.0514 0.7057 0.7046
Trypanosoma brucei aldo/keto reductase, putative 0.021 0.2782 0.2755
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.021 0.2782 0.2782
Loa Loa (eye worm) oxidoreductase 0.0724 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0724 1 1
Loa Loa (eye worm) hypothetical protein 0.0724 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.021 0.2782 0.2755
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Echinococcus multilocularis aldo keto reductase 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Onchocerca volvulus 0.0724 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.3765 0.3742
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Plasmodium falciparum aldehyde reductase, putative 0.021 0.2782 1
Echinococcus multilocularis aldo keto reductase 0.0724 1 1
Leishmania major aldo-keto reductase-like protein 0.0724 1 1
Echinococcus multilocularis snurportin 1 0.0151 0.1964 0.1933
Trichomonas vaginalis aldo-keto reductase, putative 0.021 0.2782 0.2782
Brugia malayi glutamate-cysteine ligase modifier subunit 0.021 0.2782 0.2755
Onchocerca volvulus 0.0724 1 1
Echinococcus granulosus snurportin 1 0.0151 0.1964 0.1933
Entamoeba histolytica aldose reductase, putative 0.0724 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.021 0.2782 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.7348 0.7338
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Onchocerca volvulus 0.0724 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0724 1 1
Brugia malayi RNA, U transporter 1 0.004 0.0405 0.0368
Loa Loa (eye worm) runx1 0.0067 0.0781 0.0746
Brugia malayi NADH-dependent xylose reductase 0.021 0.2782 0.2755
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.021 0.2782 0.2782
Echinococcus multilocularis aldo keto reductase 0.0724 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0724 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.021 0.2782 0.2782
Trichomonas vaginalis aldo/keto reductase, putative 0.0724 1 1
Schistosoma mansoni potassium channel beta 0.021 0.2782 0.2755
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0724 1 1
Echinococcus granulosus aldehyde reductase 0.0514 0.7057 0.7046
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.021 0.2782 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Trichomonas vaginalis conserved hypothetical protein 0.021 0.2782 0.2782
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.021 0.2782 0.2755
Toxoplasma gondii aldose reductase, putative 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.021 0.2782 0.2782
Entamoeba histolytica aldose reductase, putative 0.0724 1 1
Giardia lamblia Aldose reductase 0.0724 1 0.5
Trichomonas vaginalis alcohol dehydrogenase, putative 0.021 0.2782 0.2782
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Loa Loa (eye worm) oxidoreductase 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.021 0.2782 0.2782
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Loa Loa (eye worm) oxidoreductase 0.0724 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0724 1 1
Schistosoma mansoni aldo-keto reductase 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Brugia malayi follicle stimulating hormone receptor 0.028 0.3765 0.3742
Mycobacterium leprae Conserved hypothetical protein 0.0514 0.7057 0.5922
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Onchocerca volvulus 0.0724 1 1
Echinococcus granulosus hypothetical protein 0.0724 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0724 1 1
Onchocerca volvulus 0.0535 0.7348 0.6326
Schistosoma mansoni lozenge 0.0067 0.0781 0.0746
Loa Loa (eye worm) oxidoreductase 0.0724 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.021 0.2782 0.2755
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Entamoeba histolytica aldose reductase, putative 0.0724 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0724 1 1
Plasmodium vivax aldehyde reductase, putative 0.021 0.2782 1
Echinococcus granulosus aldo keto reductase 0.0724 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.021 0.2782 0.2782
Trypanosoma cruzi aldo-keto reductase 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Schistosoma mansoni pol-related 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0724 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0724 1 1
Giardia lamblia Aldose reductase 0.0724 1 0.5
Onchocerca volvulus 0.0724 1 1
Onchocerca volvulus 0.0724 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0724 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0724 1 1
Toxoplasma gondii aldo-keto reductase 0.021 0.2782 0.2755
Loa Loa (eye worm) oxidoreductase 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0724 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0724 1 1
Echinococcus granulosus aldo keto reductase 0.0724 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0724 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0724 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.7348 0.7338
Schistosoma mansoni hypothetical protein 0.0151 0.1964 0.1933
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0724 1 1
Echinococcus multilocularis Protein lozenge 0.0067 0.0781 0.0746

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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