TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.477 | Formula: C14H22N4O7S2
H donors: 0 H acceptors: 4 LogP: 1.28 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: COc1nsnc1OCCOCCOCCOCCOc1nsnc1OC
InChi: 1S/C14H22N4O7S2/c1-19-11-13(17-26-15-11)24-9-7-22-5-3-21-4-6-23-8-10-25-14-12(20-2)16-27-18-14/h3-10H2,1-2H3
InChiKey: KEXXJPRGDRYLRY-UHFFFAOYSA-N

Network

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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

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	peroxidasin	0.004	0.0326	0.0329
Toxoplasma gondii	peptidase, M28 family protein	0.0061	0.0639	0.1118
Loa Loa (eye worm)	hypothetical protein	0.0254	0.3613	0.3613
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.038	0.5554	0.5554
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0029	0.0148	0.0149
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.0061	0.0639	1
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.038	0.5554	0.5554
Loa Loa (eye worm)	beta-lactamase	0.0029	0.0148	0.0148
Leishmania major	carbonic anhydrase-like protein	0.0664	0.9913	1
Loa Loa (eye worm)	hypothetical protein	0.0314	0.4537	0.4537
Schistosoma mansoni	ap endonuclease	0.0034	0.0238	0.024
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0314	0.4537	0.4537
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0022	0.0041	0.0041
Mycobacterium leprae	Probable lipase LipE	0.0029	0.0148	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0029	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0158	0.2144	0.2144
Schistosoma mansoni	tyrosine kinase	0.0022	0.0041	0.0042
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0326	0.0329
Brugia malayi	Blistered cuticle protein 3	0.004	0.0326	0.0329
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0022	0.0041	0.0042
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0022	0.0041	0.0041
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.0148	0.0149
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Echinococcus multilocularis	carbonic anhydrase II	0.0664	0.9913	0.9913
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0148	0.0148
Leishmania major	hypothetical protein, conserved	0.0061	0.0639	0.0503
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0664	0.9913	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0664	0.9913	1
Loa Loa (eye worm)	hypothetical protein	0.038	0.5554	0.5554
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.0148	0.0149
Loa Loa (eye worm)	carbonic anhydrase 3	0.0664	0.9913	0.9913
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0034	0.0238	0.1839
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0326	0.0329
Mycobacterium tuberculosis	Conserved protein	0.0061	0.0639	0.2073
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Echinococcus multilocularis	c src tyrosine kinase	0.0022	0.0041	0.0041
Loa Loa (eye worm)	leucyl aminopeptidase	0.0061	0.0639	0.0639
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0314	0.4537	0.4577
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0664	0.9913	1
Schistosoma mansoni	carbonic anhydrase	0.0314	0.4537	0.4577
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0314	0.4537	0.4577
Toxoplasma gondii	hypothetical protein	0.0061	0.0639	0.1118
Onchocerca volvulus		0.0333	0.4833	0.8665
Echinococcus multilocularis	carbonic anhydrase	0.0314	0.4537	0.4537
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0664	0.9913	1
Brugia malayi	leucyl aminopeptidase	0.0061	0.0639	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0314	0.4537	0.4537
Brugia malayi	beta-lactamase family protein	0.0029	0.0148	0.0149
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0061	0.0639	0.0644
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0061	0.0639	0.0639
Echinococcus granulosus	carbonic anhydrase	0.0314	0.4537	0.4537
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0326	0.0326
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0022	0.0041	0.0041
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0022	0.0041	0.0041
Schistosoma mansoni	nicalin (M28 family)	0.0061	0.0639	0.0644
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Plasmodium falciparum	carbonic anhydrase	0.0314	0.4537	1
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0326	0.0326
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0029	0.0148	0.0148
Echinococcus granulosus	peroxidasin	0.004	0.0326	0.0326
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0061	0.0639	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0639	0.0639
Schistosoma mansoni	hypothetical protein	0.0314	0.4537	0.4577
Schistosoma mansoni	peroxidasin	0.004	0.0326	0.0329
Onchocerca volvulus	Peroxidasin homolog	0.004	0.0326	0.0329
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0022	0.0041	0.0041
Brugia malayi	exodeoxyribonuclease III family protein	0.0034	0.0238	0.024
Brugia malayi	beta-lactamase	0.0029	0.0148	0.0149
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0664	0.9913	1
Brugia malayi	hypothetical protein	0.004	0.0326	0.0329
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0034	0.0238	1
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0061	0.0639	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0639	0.0639
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.0061	0.0639	0.2073
Onchocerca volvulus	Fxna peptidase homolog	0.0061	0.0639	0.0908
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0326	0.0329
Onchocerca volvulus	Glutaminyl cyclase homolog	0.038	0.5554	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0034	0.0238	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0148	0.0148
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0314	0.4537	0.4577
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0333	0.4833	0.4833
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0273	0.3904	0.3904
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0061	0.0639	1
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0639	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0333	0.4833	0.4875
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0314	0.4537	0.4577
Onchocerca volvulus		0.0333	0.4833	0.8665
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0034	0.0238	0.0092
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0639	1
Echinococcus granulosus	carbonic anhydrase	0.0314	0.4537	0.4537
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0664	0.9913	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0148	0.0148
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0061	0.0639	0.0639
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0034	0.0238	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0314	0.4537	0.4577
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0022	0.0041	0.0041
Leishmania major	glutaminyl cyclase, putative	0.0061	0.0639	0.0503
Trichomonas vaginalis	ap endonuclease, putative	0.0034	0.0238	0.1839
Brugia malayi	beta-lactamase family protein	0.0029	0.0148	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0639	0.0639
Onchocerca volvulus	Fxna peptidase homolog	0.0061	0.0639	0.0908
Onchocerca volvulus		0.004	0.0326	0.0329
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0034	0.0238	0.0238
Echinococcus multilocularis	muscleblind protein	0.0158	0.2144	0.2144
Schistosoma mansoni	tyrosine kinase	0.0022	0.0041	0.0042
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0664	0.9913	0.9913
Echinococcus multilocularis	peroxidasin	0.004	0.0326	0.0326
Loa Loa (eye worm)	blistered cuticle protein 3	0.004	0.0326	0.0326
Brugia malayi	Peptidase family M28 containing protein	0.038	0.5554	0.5603
Brugia malayi	Tyrosine-protein kinase abl-1	0.0273	0.3904	0.3938
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0022	0.0041	0.0041
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0061	0.0639	0.0639
Echinococcus multilocularis	muscleblind protein 1	0.0158	0.2144	0.2144
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0034	0.0238	0.0238
Brugia malayi	nicalin	0.0061	0.0639	0.0644
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0034	0.0238	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0314	0.4537	0.4537
Trypanosoma brucei	glutaminyl cyclase, putative	0.0061	0.0639	0.0503
Brugia malayi	SRC-1	0.0022	0.0041	0.0042
Brugia malayi	Muscleblind-like protein	0.0158	0.2144	0.2163
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0034	0.0238	0.5
Echinococcus granulosus	c src tyrosine kinase	0.0022	0.0041	0.0041
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0314	0.4537	0.4537
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0022	0.0041	0.0041
Schistosoma mansoni	ap endonuclease	0.0034	0.0238	0.024
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.038	0.5554	0.5603
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0183	0.2516	1
Schistosoma mansoni	carbonic anhydrase-related	0.0314	0.4537	0.4577
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0148	0.0148
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0061	0.0639	0.0639
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0034	0.0238	0.0092
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0022	0.0041	0.0041
Brugia malayi	FXNA	0.0061	0.0639	0.0644
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0326	0.0326
Toxoplasma gondii	exonuclease III APE	0.0034	0.0238	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0639	1
Schistosoma mansoni	tyrosine kinase	0.0022	0.0041	0.0042
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0022	0.0041	0.0041
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0034	0.0238	0.0092
Onchocerca volvulus	Peroxidase homolog	0.004	0.0326	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0158	0.2144	0.2144
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0034	0.0238	0.0381
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0022	0.0041	0.0041
Loa Loa (eye worm)	SRC-1	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0639	0.0639
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0326	0.0329
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Toxoplasma gondii	hypothetical protein	0.0314	0.4537	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0406	0.5948	0.6001
Onchocerca volvulus	Dual oxidase homolog	0.004	0.0326	0.0329
Echinococcus multilocularis	carbonic anhydrase	0.0314	0.4537	0.4537
Onchocerca volvulus	Chorion peroxidase homolog	0.004	0.0326	0.0329
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0061	0.0639	0.0503
Onchocerca volvulus		0.004	0.0326	0.0329
Echinococcus granulosus	carbonic anhydrase II	0.0664	0.9913	0.9913
Mycobacterium ulcerans	hypothetical protein	0.0061	0.0639	1
Schistosoma mansoni	tyrosine kinase	0.0022	0.0041	0.0042
Onchocerca volvulus	Fxna peptidase homolog	0.0061	0.0639	0.0908
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0022	0.0041	0.0041
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0061	0.0639	0.0639
Onchocerca volvulus	Peroxidasin homolog	0.004	0.0326	0.0329
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0314	0.4537	0.4577
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Echinococcus granulosus	beta LACTamase domain containing family member	0.0029	0.0148	0.0148
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Schistosoma mansoni	tyrosine kinase	0.066	0.9853	0.9939
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0148	0.0148
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0326	0.0329
Onchocerca volvulus		0.004	0.0326	0.0329
Trypanosoma brucei	carbonic anhydrase-like protein	0.0664	0.9913	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0326	0.0326
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0022	0.0041	0.0041
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0022	0.0041	0.0041
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0326	0.0326
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0061	0.0639	0.0644
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0034	0.0238	0.0238
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0029	0.0148	0.0148
Echinococcus granulosus	carbonic anhydrase	0.0314	0.4537	0.4537
Echinococcus granulosus	muscleblind protein	0.0158	0.2144	0.2144
Onchocerca volvulus		0.0061	0.0639	0.0908
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0034	0.0238	0.0092
Onchocerca volvulus	Peroxidase homolog	0.004	0.0326	0.0329
Schistosoma mansoni	carbonic anhydrase-related	0.0314	0.4537	0.4577
Brugia malayi	Peroxidasin	0.004	0.0326	0.0329
Trichomonas vaginalis	ap endonuclease, putative	0.0034	0.0238	0.1839

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

ChEMBL: CHEMBL3122160

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.

Detailed information for compound 1832068