Detailed information for compound 2064378

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.386 | Formula: C16H23N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1noc(n1)CN1CCCC1c1noc(n1)C1CC1)C
  • InChi: 1S/C16H23N5O2/c1-10(2)8-13-17-14(22-19-13)9-21-7-3-4-12(21)15-18-16(23-20-15)11-5-6-11/h10-12H,3-9H2,1-2H3
  • InChiKey: HTOZFRAATSMOJI-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 multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1093 0.2404
Trypanosoma brucei thymidine kinase 0.0472 1 1
Schistosoma mansoni thymidylate kinase 0.0061 0.0825 0.1233
Trypanosoma cruzi thymidylate kinase, putative 0.0061 0.0825 0.0825
Schistosoma mansoni hypothetical protein 0.0192 0.3758 0.7522
Echinococcus granulosus thymidylate kinase 0.0061 0.0825 0.1639
Schistosoma mansoni hypothetical protein 0.0244 0.4913 1
Giardia lamblia Thymidine kinase 0.0472 1 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0061 0.0825 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1093 1
Leishmania major thymidylate kinase-like protein 0.0061 0.0825 0.0825
Trichomonas vaginalis thymidine kinase, putative 0.0472 1 1
Trichomonas vaginalis thymidine kinase, putative 0.0472 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0046 0.0487 0.0508
Leishmania major thymidine kinase, putative 0.0472 1 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0061 0.0825 0.5
Treponema pallidum thymidylate kinase (tmk) 0.0061 0.0825 0.5
Trypanosoma cruzi thymidine kinase, putative 0.0472 1 1
Echinococcus multilocularis thymidylate kinase 0.0061 0.0825 0.1639
Schistosoma mansoni hypothetical protein 0.0061 0.0825 0.1233
Trypanosoma brucei RNA helicase, putative 0.0244 0.4913 0.4455
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1093 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.044 0.9285 1
Plasmodium vivax thymidylate kinase, putative 0.0061 0.0825 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1093 0.1808
Brugia malayi follicle stimulating hormone receptor 0.044 0.9285 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0046 0.0487 0.0675
Schistosoma mansoni hypothetical protein 0.0192 0.3758 0.7522
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1093 0.1093
Trichomonas vaginalis thymidine kinase, putative 0.0472 1 1
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0441 0.0409
Plasmodium falciparum thymidylate kinase 0.0061 0.0825 0.5
Echinococcus multilocularis geminin 0.0192 0.3758 1
Trypanosoma cruzi thymidine kinase, putative 0.0472 1 1
Schistosoma mansoni thymidylate kinase 0.0061 0.0825 0.1233
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1093 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1093 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 0.0441 0.0543
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1093 0.1808
Chlamydia trachomatis thymidylate kinase 0.0061 0.0825 0.5
Echinococcus granulosus geminin 0.0192 0.3758 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1093 0.2404
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1093 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0041 0.0386 0.0388
Loa Loa (eye worm) thymidylate kinase 0.0061 0.0825 0.0537
Brugia malayi thymidylate kinase 0.0061 0.0825 0.0537
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0441 0.0409
Trypanosoma cruzi thymidylate kinase, putative 0.0061 0.0825 0.0825
Onchocerca volvulus Putative thymidylate kinase 0.0061 0.0825 0.5

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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