TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 289.396 | Formula: C15H19N3OS
H donors: 2 H acceptors: 2 LogP: 3.96 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)c1sc2c(c1N)c(C)c1c(n2)CCCCCC1
InChi: 1S/C15H19N3OS/c1-8-9-6-4-2-3-5-7-10(9)18-15-11(8)12(16)13(20-15)14(17)19/h2-7,16H2,1H3,(H2,17,19)
InChiKey: DEDIWXVHCRLIOE-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	eukaryotic elongation factor 2 kinase-like	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma congolense	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130980	All targets in OG5_130980
Schistosoma mansoni	eukaryotic elongation factor 2 kinase (eef-2 kinase)	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma brucei	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130980	All targets in OG5_130980
Leishmania mexicana	myosin heavy chain kinase a-like protein	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma congolense	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Echinococcus granulosus	eukaryotic elongation factor 2 kinase	Get druggable targets OG5_130980	All targets in OG5_130980
Leishmania braziliensis	myosin heavy chain kinase a-like protein	Get druggable targets OG5_130980	All targets in OG5_130980
Leishmania infantum	myosin heavy chain kinase a-like protein	Get druggable targets OG5_130980	All targets in OG5_130980
Echinococcus multilocularis	eukaryotic elongation factor 2 kinase	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma cruzi	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma cruzi	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Schistosoma japonicum	ko:K08292 elongation factor 2 kinase [EC2.7.11.20], putative	Get druggable targets OG5_130980	All targets in OG5_130980
Brugia malayi	MHCK/EF2 kinase domain family protein	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma brucei	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Schistosoma japonicum	Elongation factor 2 kinase, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma congolense	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Trypanosoma brucei gambiense	myosin heavy chain kinase A, putative	Get druggable targets OG5_130980	All targets in OG5_130980
Leishmania donovani	myosin heavy chain kinase a-like protein	Get druggable targets OG5_130980	All targets in OG5_130980
Leishmania major	myosin heavy chain kinase a-like protein	Get druggable targets OG5_130980	All targets in OG5_130980

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	heat shock protein, putative	0.042	0.3868	0.2588
Leishmania major	heat shock protein 83-1	0.1025	1	1
Leishmania major	heat shock protein 83-1	0.1025	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0628	0.5984	0.5145
Leishmania major	heat shock protein, putative	0.042	0.3868	0.3868
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Schistosoma mansoni	heat shock protein	0.042	0.3868	0.3868
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0209	0.1727	0.1727
Entamoeba histolytica	90 kDa heat shock protein, putative	0.042	0.3868	0.2588
Echinococcus granulosus	heat shock protein 90	0.1025	1	1
Schistosoma mansoni	endoplasmin	0.1025	1	1
Leishmania major	heat shock protein 83-1	0.1025	1	1
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0209	0.1727	0.1727
Schistosoma mansoni	heat shock protein	0.1025	1	1
Trypanosoma brucei	DNA topoisomerase ii	0.0209	0.1727	0.1727
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.1025	1	1
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.1727	0.1727
Mycobacterium ulcerans	heat shock protein 90	0.0816	0.7884	1
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0209	0.1727	0.1727
Echinococcus granulosus	endoplasmin	0.0816	0.7884	0.7884
Schistosoma mansoni	DNA topoisomerase II	0.0209	0.1727	0.1727
Leishmania major	heat shock protein 83-1	0.1025	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0209	0.1727	0.5
Leishmania major	heat shock protein 83-1	0.1025	1	1
Plasmodium vivax	heat shock protein 90, putative	0.042	0.3868	0.2588
Trichomonas vaginalis	endoplasmin, putative	0.0628	0.5984	0.5145
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0209	0.1727	0.1727
Entamoeba histolytica	heat shock protein 90, putative	0.1025	1	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0816	0.7884	0.7884
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0816	0.7884	0.7884
Trypanosoma cruzi	heat shock protein 85, putative	0.1025	1	1
Toxoplasma gondii	heat shock protein HSP90	0.1025	1	1
Plasmodium vivax	endoplasmin, putative	0.1025	1	1
Echinococcus granulosus	heat shock protein	0.1025	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0209	0.1727	0.5
Brugia malayi	kinase, mitochondrial precursor	0.0209	0.1727	0.1727
Leishmania major	heat shock protein 83-1	0.1025	1	1
Toxoplasma gondii	heat shock protein 90, putative	0.1025	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1025	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.1727	0.1727
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0209	0.1727	0.1727
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0209	0.1727	0.1727
Trichomonas vaginalis	heat shock protein, putative	0.0816	0.7884	0.7443
Leishmania major	heat shock protein 83-1	0.1025	1	1
Toxoplasma gondii	heat shock protein 75, putative	0.042	0.3868	0.2588
Plasmodium falciparum	heat shock protein 90, putative	0.042	0.3868	0.2588
Echinococcus multilocularis	heat shock protein	0.1025	1	1
Leishmania major	heat shock protein 83-1	0.1025	1	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.1025	1	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.042	0.3868	0.3868
Loa Loa (eye worm)	heat shock protein 90	0.1025	1	1
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0209	0.1727	0.1727
Entamoeba histolytica	heat shock protein 90, putative	0.1025	1	1
Leishmania major	heat shock protein 83-1	0.1025	1	1
Plasmodium vivax	heat shock protein, putative	0.042	0.3868	0.2588
Schistosoma mansoni	endoplasmin	0.1025	1	1
Trichomonas vaginalis	heat shock protein, putative	0.1025	1	1
Toxoplasma gondii	Hsp90 domain-containing protein	0.042	0.3868	0.2588
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0816	0.7884	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0816	0.7884	1
Trypanosoma cruzi	heat shock protein, putative	0.042	0.3868	0.3868
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0209	0.1727	0.1727
Leishmania major	heat shock protein 83-1	0.1025	1	1
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0209	0.1727	0.1727
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0209	0.1727	0.1727
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0816	0.7884	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0605	0.5743	0.5743
Loa Loa (eye worm)	hypothetical protein	0.0209	0.1727	0.1727
Leishmania major	heat shock protein 83-1	0.1025	1	1
Plasmodium falciparum	endoplasmin, putative	0.0628	0.5984	0.5145
Loa Loa (eye worm)	TOPoisomerase family member	0.0209	0.1727	0.1727
Leishmania major	heat shock protein 83-1	0.1025	1	1
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0209	0.1727	0.1727
Schistosoma mansoni	heat shock protein	0.1025	1	1
Leishmania major	hypothetical protein, conserved	0.0209	0.1727	0.1727
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0209	0.1727	0.1727
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0816	0.7884	0.7443
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.042	0.3868	1
Leishmania major	heat shock protein 83-1	0.1025	1	1
Echinococcus multilocularis	heat shock protein 90	0.1025	1	1
Echinococcus multilocularis	heat shock protein 90	0.0816	0.7884	0.7884
Plasmodium falciparum	heat shock protein 90, putative	0.042	0.3868	0.2588
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0209	0.1727	0.1727
Trypanosoma cruzi	Heat shock protein 83, putative	0.1025	1	1
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0209	0.1727	0.1727
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0209	0.1727	0.1727
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.042	0.3868	0.3868
Brugia malayi	Hsp90 protein	0.042	0.3868	0.3868
Brugia malayi	heat shock protein 90	0.1025	1	1
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0209	0.1727	0.1727
Echinococcus granulosus	heat shock protein 90	0.0816	0.7884	0.7884
Leishmania major	heat shock protein 83-1	0.1025	1	1
Leishmania major	DNA topoisomerase ii	0.0209	0.1727	0.1727
Trichomonas vaginalis	heat shock protein, putative	0.0816	0.7884	0.7443
Treponema pallidum	heat shock protein 90	0.0816	0.7884	1
Trypanosoma cruzi	heat shock protein 90, putative	0.1025	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0816	0.7884	0.7443
Leishmania major	mitochondrial DNA topoisomerase II	0.0209	0.1727	0.1727
Leishmania major	heat shock protein 83-1	0.1025	1	1
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0209	0.1727	0.1727
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Leishmania major	heat shock protein 83-1	0.1025	1	1
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0816	0.7884	0.7884
Trypanosoma cruzi	heat shock protein 85, putative	0.1025	1	1
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0209	0.1727	0.1727
Trypanosoma cruzi	heat shock protein 85, putative	0.0816	0.7884	0.7884
Brugia malayi	Probable DNA topoisomerase II	0.0209	0.1727	0.1727
Trypanosoma brucei	heat shock protein 90, putative	0.1025	1	1
Leishmania major	heat shock protein 83-1	0.1025	1	1
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Plasmodium vivax	heat shock protein 86, putative	0.1025	1	1
Loa Loa (eye worm)	heat shock protein 75	0.042	0.3868	0.3868
Plasmodium falciparum	heat shock protein 90	0.1025	1	1
Loa Loa (eye worm)	endoplasmin	0.1025	1	1
Trypanosoma brucei	heat shock protein 84, putative	0.042	0.3868	0.3868
Giardia lamblia	Grp94/Hsp90	0.0816	0.7884	0.7443
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0209	0.1727	0.5
Schistosoma mansoni	pyruvate dehydrogenase	0.0209	0.1727	0.1727
Trypanosoma brucei	Heat shock protein 83, putative	0.1025	1	1
Trypanosoma brucei	heat shock protein, putative	0.1025	1	1
Echinococcus multilocularis	endoplasmin	0.0816	0.7884	0.7884

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.1 uM	Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method	ChEMBL.	20189382

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

ChEMBL: CHEMBL1091709

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1600471