Detailed information for compound 2218194

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.108 | Formula: C14H15N5S
  • H donors: 1 H acceptors: 2 LogP: 2.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: S=C(N(C)C)NN=[14C](c1ccccn1)c1ccccn1
  • InChi: InChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)/i13+2
  • InChiKey: XOBIGRNRXCAMJQ-ALWQSETLSA-N  


Substructure search Similarity search

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 0.0139 0.0512 0.223
Toxoplasma gondii ribonuclease HI protein 0.0368 0.2266 0.5
Schistosoma mansoni phosphoglucomutase 0.0368 0.2266 0.2266
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0147 0.0576 0.2542
Trypanosoma brucei ingi protein (ORF1) 0.04 0.2505 0.2505
Onchocerca volvulus Ribonuclease H1 homolog 0.0368 0.2266 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.0368 0.2266 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0368 0.2266 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0403 0.2527 0.2527
Echinococcus granulosus ribonuclease H1 0.0368 0.2266 0.8702
Entamoeba histolytica hypothetical protein 0.017 0.0754 0.6931
Schistosoma mansoni phosphoglucomutase 0.0368 0.2266 0.2266
Trypanosoma brucei unspecified product 0.04 0.2505 0.2505
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0189 0.0893 0.3941
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0214 0.1088 0.4801
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0214 0.1088 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0214 0.1088 0.4801
Trichomonas vaginalis ribonuclease H1, putative 0.0368 0.2266 1
Trypanosoma brucei ribonuclease H1 0.0368 0.2266 0.2266
Schistosoma mansoni phosphoglucomutase 0.0368 0.2266 0.2266
Leishmania major ribonuclease H1, putative 0.0368 0.2266 0.5
Brugia malayi RNase H family protein 0.0368 0.2266 1
Treponema pallidum ribonuclease H (rnhA) 0.0368 0.2266 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.017 0.0754 0.6931
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0214 0.1088 0.4801
Giardia lamblia Ribonuclease H 0.0368 0.2266 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0147 0.0576 0.2542
Brugia malayi RNase H family protein 0.0368 0.2266 1
Trypanosoma brucei hypothetical protein, conserved 0.04 0.2505 0.2505
Echinococcus multilocularis ribonuclease H1 0.0368 0.2266 0.8702
Trypanosoma cruzi ribonuclease H1, putative 0.0368 0.2266 1
Trypanosoma brucei ingi protein (ORF1) 0.04 0.2505 0.2505
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0214 0.1088 0.4801
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0214 0.1088 0.4801
Loa Loa (eye worm) phosphatidylinositol 3 0.0359 0.2194 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0403 0.2527 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0139 0.0512 0.2259
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0095 0.0178 0.1637
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0403 0.2527 1
Trypanosoma brucei RNA helicase, putative 0.1382 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0208 0.1039 0.9555
Brugia malayi RNase H family protein 0.0368 0.2266 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.04 0.2505 0.2505
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0214 0.1088 0.4801

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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