Detailed information for compound 661663

Basic information

Technical information
  • TDR Targets ID: 661663
  • Name: ST5193102
  • MW: 248.344 | Formula: C13H16N2OS
  • H donors: 0 H acceptors: 1 LogP: 2.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1cnc2c(c1=O)c1CCCc1s2
  • InChi: 1S/C13H16N2OS/c1-2-3-7-15-8-14-12-11(13(15)16)9-5-4-6-10(9)17-12/h8H,2-7H2,1H3
  • InChiKey: HQFJOOXQBKKWAC-UHFFFAOYSA-N  

Network

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Synonyms

  • ZINC01775298

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 0.0028 0.0559 0.0521
Loa Loa (eye worm) hypothetical protein 0.0028 0.0559 0.0521
Brugia malayi hypothetical protein 0.0034 0.0706 0.0696
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Brugia malayi Glycosyl hydrolases family 18 protein 0.0034 0.0706 0.0696
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0028 0.0559 0.0524
Onchocerca volvulus Putative endochitinase 0.0262 0.6041 0.6817
Brugia malayi Glycosyl hydrolases family 18 protein 0.0034 0.0706 0.0696
Loa Loa (eye worm) chitin binding Peritrophin-A domain-containing protein 0.0028 0.0559 0.0521
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.1529 0.1465
Onchocerca volvulus Putative endochitinase 0.0233 0.538 0.5995
Schistosoma mansoni hypothetical protein 0.043 1 1
Onchocerca volvulus 0.003 0.0608 0.006
Schistosoma mansoni chitinase 0.0034 0.0706 0.0706
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0371 0.8601 0.8591
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.1529 0.1666
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1529 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0608 0.0577
Brugia malayi Endochitinase 0.0034 0.0706 0.0696
Loa Loa (eye worm) hypothetical protein 0.0028 0.0559 0.0521
Echinococcus granulosus transcription factor Dp 1 0.004 0.0842 0.0773
Loa Loa (eye worm) hypothetical protein 0.0199 0.4573 0.5251
Loa Loa (eye worm) hypothetical protein 0.0371 0.8601 1
Echinococcus multilocularis Glycoside hydrolase, chitinase domain containing protein 1 0.0034 0.0706 0.0636
Loa Loa (eye worm) chitin binding Peritrophin-A domain-containing protein 0.0028 0.0559 0.0521
Loa Loa (eye worm) glycosyl hydrolase family 18 protein 0.0034 0.0706 0.0693
Onchocerca volvulus Putative endochitinase 0.0262 0.6041 0.6817
Brugia malayi hypothetical protein 0.0034 0.0706 0.0696
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0371 0.8601 1
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0842 0.0773
Trichomonas vaginalis chitinase, putative 0.0034 0.0706 1
Brugia malayi CXXC zinc finger family protein 0.003 0.0608 0.0581
Loa Loa (eye worm) chitinase I 0.0233 0.538 0.6203
Plasmodium falciparum conserved protein, unknown function 0.0371 0.8601 1
Brugia malayi endochitinase 0.0233 0.538 0.6204
Toxoplasma gondii hypothetical protein 0.0371 0.8601 1
Leishmania major chitinase 0.0233 0.538 1
Schistosoma mansoni cpg binding protein 0.0032 0.0648 0.0648
Onchocerca volvulus Putative endochitinase 0.0262 0.6041 0.6817
Plasmodium vivax hypothetical protein, conserved 0.0371 0.8601 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1403 0.1403
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0028 0.0559 0.0524
Loa Loa (eye worm) hypothetical protein 0.0028 0.0559 0.0521
Loa Loa (eye worm) hypothetical protein 0.0028 0.0559 0.0521
Onchocerca volvulus Putative endochitinase 0.0233 0.538 0.5995
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.1529 0.1465
Loa Loa (eye worm) cuticular endochitinase 0.0233 0.538 0.6203
Schistosoma mansoni cpg binding protein 0.0032 0.0648 0.0648
Entamoeba histolytica chitinase, putative 0.0233 0.538 1
Echinococcus granulosus cpg binding protein 0.0032 0.0648 0.0578
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.1529 0.1663
Onchocerca volvulus 0.0371 0.8601 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Brugia malayi Endochitinase 0.0262 0.6041 0.6983
Mycobacterium ulcerans chitinase/cellulase 0.0199 0.4573 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0028 0.0559 0.0521
Loa Loa (eye worm) hypothetical protein 0.0028 0.0559 0.0521
Mycobacterium tuberculosis Possible chitinase 0.0199 0.4573 0.5
Loa Loa (eye worm) hypothetical protein 0.0371 0.8601 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0559 0.0521
Loa Loa (eye worm) hypothetical protein 0.0034 0.0706 0.0693
Schistosoma mansoni cpg binding protein 0.003 0.0608 0.0608
Onchocerca volvulus Putative chitinase 0.0034 0.0706 0.0182
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1529 0.5
Schistosoma mansoni hypothetical protein 0.0371 0.8601 0.8601
Echinococcus multilocularis cpg binding protein 0.0032 0.0648 0.0578
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.1529 0.1529
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.1529 0.176
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0028 0.0559 0.0524
Mycobacterium ulcerans chitinase/cellulase 0.0199 0.4573 1
Echinococcus multilocularis dnaJ subfamily B 0.043 1 1
Onchocerca volvulus 0.0371 0.8601 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0371 0.8601 0.8591
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1529 0.5
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0028 0.0559 0.0524
Loa Loa (eye worm) microfilarial chitinase 0.0227 0.5234 0.6031
Loa Loa (eye worm) hypothetical protein 0.0034 0.0706 0.0693
Echinococcus granulosus Glycoside hydrolase chitinase domain containing protein 1 0.0034 0.0706 0.0636
Onchocerca volvulus Putative endochitinase 0.0034 0.0706 0.0182
Brugia malayi endochitinase 0.0262 0.6041 0.6983

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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