Detailed information for compound 911841

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.384 | Formula: C14H18N4OS
  • H donors: 1 H acceptors: 3 LogP: 2.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCCNc1nncc(n1)c1cccc(c1)OC
  • InChi: 1S/C14H18N4OS/c1-19-12-6-3-5-11(9-12)13-10-16-18-14(17-13)15-7-4-8-20-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,17,18)
  • InChiKey: AUQLNHSWLCDSHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma brucei endonuclease G, putative 0.0346 0.2688 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0091 0.0606 0.0432
Schistosoma mansoni hypothetical protein 0.0091 0.0606 0.0278
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0606 0.0538
Echinococcus granulosus transcription factor btf3 0.0069 0.0431 0.0487
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0091 0.0606 0.0606
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0091 0.0606 0.0891
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0576 0.4562 0.4372
Trypanosoma brucei transcription factor BTF3, putative 0.0069 0.0431 0.1372
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 1
Trypanosoma cruzi endonuclease G, putative 0.0346 0.2688 1
Brugia malayi hypothetical protein 0.0025 0.0072 0.0072
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0698 0.0372
Leishmania major ethanolamine phosphotransferase, putative 0.0091 0.0606 0.2042
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.022 0.0563
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.019 0.2209
Toxoplasma gondii melibiase subfamily protein 0.0102 0.0698 0.2391
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 1
Brugia malayi endonuclease G, mitochondrial precursor 0.0346 0.2688 0.2688
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0091 0.0606 0.0538
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0431 0.0457
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0485 0.3824 0.83
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0091 0.0606 0.2042
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0338 0.0273
Schistosoma mansoni transcription factor btf3 0.0069 0.0431 0.0096
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0421 0.0086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0091 0.0606 0.0893
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0431 0.1372
Brugia malayi hypothetical protein 0.0091 0.0606 0.0606
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0485 0.3824 0.5608
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0421 0.0352
Mycobacterium ulcerans hypothetical protein 0.0091 0.0606 0.1299
Echinococcus multilocularis transcription factor btf3 0.0069 0.0431 0.015
Trypanosoma cruzi endonuclease G, putative 0.0346 0.2688 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.1063 0.075
Echinococcus granulosus Endonuclease G 0.0346 0.2688 0.5684
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0353 0.0025
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0091 0.0606 0.0893
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 0.6796
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0091 0.0606 0.0432
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0346 0.2688 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.022 0.4104
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0091 0.0606 0.0278
Treponema pallidum fructose-bisphosphate aldolase 0.0611 0.4851 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 1
Schistosoma mansoni hypothetical protein 0.0091 0.0606 0.0278
Echinococcus multilocularis transferase 0.0091 0.0606 0.0432
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0091 0.0606 0.0891
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.0698 0.0579
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0338 0.0273
Loa Loa (eye worm) hypothetical protein 0.0485 0.3824 0.3779
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0698 0.0372
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0698 0.0372
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0338 0.0268
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0091 0.0606 0.0893
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0353 0.1074
Brugia malayi Melibiase family protein 0.0068 0.0421 0.0421
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.1063 0.1063
Onchocerca volvulus 0.0576 0.4562 0.4211
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0091 0.0606 0.0432
Onchocerca volvulus 0.0576 0.4562 0.4211
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0091 0.0606 1
Trypanosoma brucei endonuclease G, putative 0.0346 0.2688 1
Plasmodium vivax basic transcription factor 3b, putative 0.0069 0.0431 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0353 0.0308
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.103 0.1865
Leishmania major endonuclease G, putative 0.0346 0.2688 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.022 0.0563
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0576 0.4562 0.4562
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0431 0.0457
Echinococcus granulosus transferase 0.0091 0.0606 0.0891
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0421 0.0435
Entamoeba histolytica hypothetical protein 0.0069 0.0431 0.0517
Loa Loa (eye worm) acetyltransferase 0.0147 0.1063 0.0998
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0698 0.0372
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.0698 0.0579
Brugia malayi AEL166Cp 0.0091 0.0606 0.0606
Echinococcus granulosus neuropeptide receptor A26 0.0454 0.3569 0.7713
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0091 0.0606 0.0432
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 0.6796
Plasmodium falciparum basic transcription factor 3b, putative 0.0069 0.0431 0.6718
Toxoplasma gondii NAC domain-containing protein 0.0069 0.0431 0.1372
Echinococcus granulosus ectonucleotide 0.0485 0.3824 0.83
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 0.6796
Brugia malayi jmjC domain containing protein 0.0058 0.0338 0.0338
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 1
Echinococcus multilocularis ectonucleotide 0.0485 0.3824 0.5608
Schistosoma mansoni hypothetical protein 0.0188 0.1404 0.1103
Schistosoma mansoni hypothetical protein 0.1243 1 1
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0346 0.2688 1
Echinococcus granulosus neuropeptide s receptor 0.0454 0.3569 0.7713
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0576 0.4562 0.4372
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.1063 0.1167
Loa Loa (eye worm) hypothetical protein 0.0576 0.4562 0.4522
Schistosoma mansoni endonuclease related 0.0346 0.2688 0.2432
Schistosoma mansoni hypothetical protein 0.0188 0.1404 0.1103
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0346 0.2688 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0299 0.2303 1
Echinococcus granulosus geminin 0.0188 0.1404 0.2727
Echinococcus multilocularis geminin 0.0188 0.1404 0.1715
Loa Loa (eye worm) ICD-1 protein 0.0069 0.0431 0.0361
Brugia malayi jmjC domain containing protein 0.0058 0.0338 0.0338
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0611 0.4851 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0353 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0431 0.0457
Brugia malayi beta-NAC-like protein 0.0069 0.0431 0.0431
Entamoeba histolytica transcription factor BTF3, putative 0.0069 0.0431 0.0517
Brugia malayi hypothetical protein 0.0091 0.0606 0.0606
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0576 0.4562 0.4372
Echinococcus multilocularis Endonuclease G 0.0346 0.2688 0.3781
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 0.6796
Giardia lamblia Fructose-bisphosphate aldolase 0.0611 0.4851 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0576 0.4562 0.4372
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0353 0.0016
Trypanosoma brucei endonuclease G, putative 0.0346 0.2688 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.0698 0.1101
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0421 0.0086
Loa Loa (eye worm) hypothetical protein 0.0091 0.0606 0.0538
Loa Loa (eye worm) hypothetical protein 0.0576 0.4562 0.4522
Echinococcus multilocularis neuropeptide s receptor 0.0454 0.3569 0.5199
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1243 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0606 0.0538
Loa Loa (eye worm) hypothetical protein 0.0576 0.4562 0.4522
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 0.6796
Loa Loa (eye worm) hypothetical protein 0.0091 0.0606 0.0538
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0346 0.2688 1
Schistosoma mansoni hypothetical protein 0.0091 0.0606 0.0278
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0299 0.2303 1
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0091 0.0606 0.0432
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0611 0.4851 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0576 0.4562 0.6796
Echinococcus multilocularis neuropeptide receptor A26 0.0454 0.3569 0.5199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Schistosoma mansoni hypothetical protein 0.0091 0.0606 0.0278
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0353 0.1074
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0431 0.1372
Leishmania major basic transcription factor 3a, putative 0.0069 0.0431 0.1372
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0299 0.2303 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.082 0.6553 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.4851 1
Onchocerca volvulus 0.1243 1 1

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.