Detailed information for compound 1808842

Basic information

Technical information
  • TDR Targets ID: 1808842
  • Name: 5-dimethylamino-2-(4-methylpiperazine-1-carbo nyl)-1,3-dithiane-2-carbonitrile
  • MW: 314.47 | Formula: C13H22N4OS2
  • H donors: 0 H acceptors: 2 LogP: 0.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1(SCC(CS1)N(C)C)C(=O)N1CCN(CC1)C
  • InChi: 1S/C13H22N4OS2/c1-15(2)11-8-19-13(10-14,20-9-11)12(18)17-6-4-16(3)5-7-17/h11H,4-9H2,1-3H3
  • InChiKey: LUYNDMKRVQPEQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-dimethylamino-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dithiane-2-carbonitrile
  • 5-dimethylamino-2-(4-methylpiperazin-1-yl)carbonyl-1,3-dithiane-2-carbonitrile

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
Schistosoma mansoni hypothetical protein 0.0059 0.0032 0.0021
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0011 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0203 0.0185 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0089 0.0063 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0089 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0202 0.0183 0.0183
Echinococcus multilocularis 0.0059 0.0032 0.0021
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0059 0.0032 0.1197
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0038 0.5032
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0038 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0059 0.0032 0.3736
Leishmania major protein kinase, putative 0.0203 0.0185 1
Echinococcus granulosus single minded 2 0.0042 0.0013 0.0002
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0203 0.0185 0.0185
Brugia malayi Cytochrome P450 family protein 0.0089 0.0063 0.0052
Leishmania major protein kinase, putative 0.0203 0.0185 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0011 0.0011
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0059 0.0032 0.3736
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0203 0.0185 1
Schistosoma mansoni serine/threonine protein kinase 0.0203 0.0185 0.0174
Loa Loa (eye worm) hypoxia-induced factor 1 0.0175 0.0155 0.0155
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0059 0.0032 0.3736
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0203 0.0185 1
Leishmania major cytochrome p450-like protein 0.0089 0.0063 0.3
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0059 0.0032 0.1197
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0059 0.0032 0.1197
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0203 0.0185 1
Brugia malayi Protein kinase domain containing protein 0.0203 0.0185 0.0174
Leishmania major cytochrome p450-like protein 0.0059 0.0032 0.1197
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0038 0.0424
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0038 0.0027
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.9429 1 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0059 0.0032 0.3736
Trypanosoma brucei cytochrome P450, putative 0.0089 0.0063 0.3
Mycobacterium leprae Conserved hypothetical protein 0.0059 0.0032 0.5
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0059 0.0032 0.3736
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0038 0.0027
Schistosoma mansoni serine/threonine protein kinase 0.0203 0.0185 0.0174
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0137 0.0115 0.0104
Trichomonas vaginalis CMGC family protein kinase 0.0203 0.0185 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0059 0.0032 0.3736
Echinococcus multilocularis dual specificity protein kinase clk2 0.0203 0.0185 0.0174
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0059 0.0032 0.1197
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0778 0.0797 0.0797
Loa Loa (eye worm) hypothetical protein 0.9429 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0089 0.0063 0.3
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0038 0.0027
Brugia malayi bHLH-PAS transcription factor 0.0042 0.0013 0.0002
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0059 0.0032 0.3736
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.9429 1 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0059 0.0032 0.3736
Schistosoma mansoni lipoxygenase 0.0137 0.0115 0.0104
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0059 0.0032 0.3736
Schistosoma mansoni aryl hydrocarbon receptor 0.0057 0.0029 0.0018
Schistosoma mansoni single-minded 0.0057 0.0029 0.0018
Loa Loa (eye worm) CYP4Cod1 0.0089 0.0063 0.0063
Loa Loa (eye worm) cytochrome P450 0.0059 0.0032 0.0032
Schistosoma mansoni lipoxygenase 0.0096 0.0071 0.006
Plasmodium vivax serine/threonine kinase-1, putative 0.0203 0.0185 0.5
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0059 0.0032 0.3736
Brugia malayi hypothetical protein 0.019 0.0171 0.016
Loa Loa (eye worm) hypothetical protein 0.019 0.0171 0.0171
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.0013 0.0002
Trypanosoma cruzi cytochrome P450, putative 0.0089 0.0063 0.3
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0038 0.157
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0059 0.0032 0.1197
Leishmania major cytochrome p450-like protein 0.0059 0.0032 0.1197
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0203 0.0185 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0203 0.0185 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0059 0.0032 0.3736
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0038 0.0027
Echinococcus granulosus cytochrome P450 2K1 0.0059 0.0032 0.0021
Brugia malayi Cytochrome P450 family protein 0.0089 0.0063 0.0052
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0038 0.5032
Giardia lamblia Kinase, CMGC CLK 0.0203 0.0185 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0188 0.0168 0.0168
Mycobacterium leprae putative cytochrome p450 0.0059 0.0032 0.5
Onchocerca volvulus 0.0042 0.0013 0.5
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0059 0.0032 0.3736
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0059 0.0032 0.3736
Echinococcus multilocularis 0.0202 0.0183 0.0172
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0059 0.0032 0.3736
Loa Loa (eye worm) cytochrome P450 family protein 0.0089 0.0063 0.0063
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0059 0.0032 0.3736
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0059 0.0032 0.3736
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0137 0.0115 0.0104
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0038 0.5032
Echinococcus granulosus hypothetical protein 0.0202 0.0183 0.0172
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0203 0.0185 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0059 0.0032 0.3736
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0059 0.0032 0.3736
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0059 0.0032 0.3736
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.9429 1 1
Brugia malayi hypoxia-induced factor 1 0.0175 0.0155 0.0144
Plasmodium falciparum protein serine/threonine kinase-1 0.0203 0.0185 0.5
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0059 0.0032 0.3736
Brugia malayi Cytochrome P450 family protein 0.0188 0.0168 0.0157
Brugia malayi PAS domain containing protein 0.0057 0.0029 0.0018
Brugia malayi cytochrome P450 0.0059 0.0032 0.0021
Schistosoma mansoni cytochrome P450 0.0059 0.0032 0.0021
Brugia malayi follicle stimulating hormone receptor 0.0778 0.0797 0.0787
Echinococcus granulosus dual specificity protein kinase clk2 0.0203 0.0185 0.0174
Brugia malayi Cytochrome P450 family protein 0.0059 0.0032 0.0021

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.