Detailed information for compound 157985

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 137.182 | Formula: C7H11N3
  • H donors: 0 H acceptors: 2 LogP: 0.64 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1nccnc1C)C
  • InChi: 1S/C7H11N3/c1-6-7(10(2)3)9-5-4-8-6/h4-5H,1-3H3
  • InChiKey: FVIOLJXJPWNFRB-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) hypothetical protein 0.0037 0.0523 0.0523
Schistosoma mansoni thymidylate kinase 0.0292 1 1
Giardia lamblia Serine palmitoyltransferase 1 0.0037 0.0523 0.0523
Echinococcus granulosus serine palmitoyltransferase long chain base 0.0037 0.0523 0.0523
Brugia malayi hypothetical protein 0.0031 0.0303 0.0303
Giardia lamblia CDC8 0.0292 1 1
Brugia malayi hypothetical protein 0.0037 0.0523 0.0523
Trichomonas vaginalis 2-amino-3-ketobutyrate coenzyme A ligase, putative 0.0037 0.0523 0.0523
Trypanosoma brucei thymidylate kinase, putative 0.0292 1 1
Echinococcus multilocularis serine palmitoyltransferase subunit 0.0031 0.0303 0.0303
Leishmania major thymidylate kinase-like protein 0.0292 1 1
Onchocerca volvulus Putative thymidylate kinase 0.0292 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.0292 1 1
Trypanosoma brucei serine-palmitoyl-CoA transferase, putative 0.0037 0.0523 0.0523
Echinococcus multilocularis thymidylate kinase 0.0292 1 1
Plasmodium falciparum thymidylate kinase 0.0292 1 1
Schistosoma mansoni serine palmitoyltransferase 1 0.0037 0.0523 0.0523
Chlamydia trachomatis thymidylate kinase 0.0292 1 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0114 0.3397 0.3397
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0292 1 0.5
Treponema pallidum thymidylate kinase (tmk) 0.0292 1 0.5
Leishmania major serine palmitoyltransferase-like protein 0.0037 0.0523 0.0523
Plasmodium vivax thymidylate kinase, putative 0.0292 1 1
Entamoeba histolytica Thymidylate kinase, putative 0.0292 1 1
Echinococcus multilocularis serine palmitoyltransferase, long chain base 0.0037 0.0523 0.0523
Trichomonas vaginalis serine palmitoyltransferase, putative 0.0037 0.0523 0.0523
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0292 1 0.5
Toxoplasma gondii thymidylate kinase 0.0292 1 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0114 0.3397 0.3397
Loa Loa (eye worm) thymidylate kinase 0.0292 1 1
Trypanosoma cruzi serine-palmitoyl-CoA transferase, putative 0.0037 0.0523 0.0523
Schistosoma mansoni thymidylate kinase 0.0292 1 1
Mycobacterium ulcerans thymidylate kinase 0.0292 1 0.5
Schistosoma mansoni hypothetical protein 0.0292 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.0292 1 1
Trichomonas vaginalis thymidylate kinase, putative 0.0292 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0523 0.0523
Trypanosoma brucei thymidylate kinase, putative 0.0292 1 1
Echinococcus granulosus thymidylate kinase 0.0292 1 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0292 1 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.0292 1 1
Leishmania major hypothetical protein, conserved 0.0114 0.3397 0.3397

Activities

Activity type Activity value Assay description Source Reference
Log 1/C (functional) = 2.882 Evaluated for its olfactory detection threshold value and indicates quantitative measure of odour impression ChEMBL. 11495591

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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