TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 400.503 | Formula: C14H28N10O2S
H donors: 4 H acceptors: 0 LogP: -0.66 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: N=C1N=C(N)NC(N1OCCSCCON1C(=N)N=C(NC1(C)C)N)(C)C
InChi: 1S/C14H28N10O2S/c1-13(2)21-9(15)19-11(17)23(13)25-5-7-27-8-6-26-24-12(18)20-10(16)22-14(24,3)4/h5-8H2,1-4H3,(H4,15,17,19,21)(H4,16,18,20,22)
InChiKey: LUUQKCJRUVFXFQ-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
Echinococcus multilocularis	fibropellin Ia	0.0013	0.0542	0.0784
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0899	0.1322
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.6656	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0899	0.1351
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.6476	0.9729
Echinococcus multilocularis	protein jagged 1	0.0013	0.0542	0.0784
Brugia malayi	Trypsin family protein	0.001	0.0042	0.0063
Schistosoma mansoni	notch	0.0013	0.0542	0.0502
Toxoplasma gondii	kringle domain-containing protein	0.0028	0.2989	0.298
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0035	0.4148	0.4392
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4148	0.6219
Loa Loa (eye worm)	hypothetical protein	0.0049	0.6476	0.9728
Brugia malayi	notch-like transmembrane receptor	0.0013	0.0542	0.0814
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.8752	1
Trypanosoma brucei	protein kinase, putative	0.005	0.6656	0.5
Echinococcus multilocularis	Mastin	0.001	0.0042	0.003
Onchocerca volvulus	Slit protein homolog	0.0013	0.0542	0.1219
Echinococcus granulosus	neurogenic locus notch protein	0.0013	0.0542	0.0784
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.6656	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.003
Brugia malayi	EGF-like domain containing protein	0.0013	0.0542	0.0814
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.3825	0.5733
Schistosoma mansoni	notch	0.0013	0.0542	0.0502
Brugia malayi	MAP kinase sur-1	0.005	0.6656	1
Echinococcus granulosus	Mastin	0.001	0.0042	0.003
Onchocerca volvulus	Arrow homolog	0.0035	0.4148	1
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0899	0.1351
Echinococcus granulosus	neurogenic locus notch protein 4	0.0013	0.0542	0.0784
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0035	0.4148	0.6231
Schistosoma mansoni	hypothetical protein	0.0013	0.0542	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Brugia malayi	EGF-like domain containing protein	0.0013	0.0542	0.0814
Brugia malayi	Trypsin family protein	0.001	0.0042	0.0063
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0899	0.1322
Schistosoma mansoni	hypothetical protein	0.0015	0.0899	0.0861
Onchocerca volvulus	Putative cubilin	0.0013	0.0542	0.1219
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0013	0.0542	0.0784
Onchocerca volvulus	Neurogenic locus notch homolog	0.0013	0.0542	0.1219
Brugia malayi	EGF-like domain containing protein	0.0013	0.0542	0.0814
Echinococcus multilocularis	laminin	0.0035	0.4148	0.6219
Brugia malayi	Fibulin-1 precursor	0.0035	0.4148	0.6231
Brugia malayi	Protein kinase domain containing protein	0.0028	0.2989	0.449
Onchocerca volvulus		0.0013	0.0542	0.1219
Echinococcus granulosus	laminin	0.0035	0.4148	0.6219
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0035	0.4148	0.4123
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.6656	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4148	0.6219
Brugia malayi	Delta serrate ligand family protein	0.0013	0.0542	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0013	0.0542	0.0814
Schistosoma mansoni	hypothetical protein	0.0015	0.0899	0.0861
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.001	0.0042	0.003
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Echinococcus granulosus	fibropellin Ia	0.0013	0.0542	0.0784
Loa Loa (eye worm)	notch protein	0.0013	0.0542	0.0784
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.001	0.0042	0.0063
Schistosoma mansoni	cell polarity protein	0.0013	0.0542	0.0502
Schistosoma mansoni	cpg binding protein	0.0033	0.3825	0.3799
Brugia malayi	EGF-like domain containing protein	0.0013	0.0542	0.0814
Echinococcus granulosus	neural cadherin	0.0013	0.0542	0.0784
Schistosoma mansoni	septate junction protein	0.0013	0.0542	0.0502
Echinococcus multilocularis	slit 2 protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0035	0.4148	0.6219
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.003
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Brugia malayi	hypothetical protein	0.001	0.0042	0.0063
Echinococcus granulosus	notch	0.0013	0.0542	0.0784
Brugia malayi	Kringle domain containing protein	0.0028	0.2989	0.449
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.003
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0035	0.4148	0.6219
Brugia malayi	Cadherin domain containing protein	0.0013	0.0542	0.0814
Echinococcus multilocularis	neurogenic locus notch protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.6476	0.9728
Echinococcus multilocularis	cpg binding protein	0.0035	0.4139	0.6206
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0899	0.1322
Brugia malayi	EGF-like domain containing protein	0.0013	0.0542	0.0814
Plasmodium falciparum	cysteine repeat modular protein 1	0.0028	0.2989	0.5
Echinococcus multilocularis	neurogenic locus protein delta	0.0013	0.0542	0.0784
Schistosoma mansoni	notch	0.0013	0.0542	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Onchocerca volvulus		0.0013	0.0542	0.1219
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.6656	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	Notch2	0.0013	0.0542	0.0784
Schistosoma mansoni	egf-like domain protein	0.0035	0.4148	0.4123
Schistosoma mansoni	cpg binding protein	0.0035	0.4139	0.4115
Schistosoma mansoni	hypothetical protein	0.0013	0.0542	0.0502
Echinococcus granulosus	enteropeptidase	0.001	0.0042	0.003
Echinococcus multilocularis	tissue type plasminogen activator	0.0028	0.2989	0.4472
Echinococcus granulosus	glycoprotein Antigen 5	0.001	0.0042	0.003
Schistosoma mansoni	notch	0.0013	0.0542	0.0502
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.6656	0.5
Echinococcus granulosus	Tolloid protein 1	0.0035	0.4148	0.6219
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.6656	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0899	0.1322
Echinococcus multilocularis	notch	0.0013	0.0542	0.0784
Brugia malayi	Calcium binding EGF domain containing protein	0.0035	0.4148	0.6231
Schistosoma mansoni	notch	0.0013	0.0542	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0028	0.2989	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4148	0.6219
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.6656	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.6656	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0899	0.1322
Schistosoma mansoni	hypothetical protein	0.0015	0.0899	0.0861
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0035	0.4148	0.6219
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0899	0.1322
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.003
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.6656	0.5
Brugia malayi	EGF-like domain containing protein	0.0013	0.0542	0.0814
Echinococcus multilocularis	enteropeptidase	0.001	0.0042	0.003
Schistosoma mansoni	hypothetical protein	0.0033	0.3895	0.3869
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.3895	0.5851
Echinococcus multilocularis	protein jagged 2	0.0013	0.0542	0.0784
Schistosoma mansoni	laminin gamma-3 chain	0.0013	0.0542	0.0502
Echinococcus multilocularis	neurogenic locus protein delta	0.0013	0.0542	0.0784
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0899	0.1322
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.003
Onchocerca volvulus		0.0033	0.3825	0.9215
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Brugia malayi	Calcium binding EGF domain containing protein	0.0013	0.0542	0.0814
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.001	0.0042	0.003
Loa Loa (eye worm)	hypothetical protein	0.0028	0.2989	0.4472
Echinococcus granulosus	neurogenic locus protein delta	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Brugia malayi	Calcium binding EGF domain containing protein	0.0013	0.0542	0.0814
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.6656	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3895	0.5837
Brugia malayi	Cadherin domain containing protein	0.0013	0.0542	0.0814
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.6656	0.7447
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.6656	1
Echinococcus multilocularis	Tolloid protein 1	0.0035	0.4148	0.6219
Echinococcus granulosus	cpg binding protein	0.0035	0.4139	0.6206
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.6656	1
Echinococcus granulosus	slit 2 protein	0.0013	0.0542	0.0784
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0013	0.0542	0.0784
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0013	0.0542	0.0502
Schistosoma mansoni	hypothetical protein	0.0013	0.0542	0.0502
Onchocerca volvulus		0.0013	0.0542	0.1219
Echinococcus granulosus	tissue type plasminogen activator	0.0028	0.2989	0.4472
Brugia malayi	EGF-like domain containing protein	0.0013	0.0542	0.0814
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.6656	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.6656	0.5
Loa Loa (eye worm)	TK/ROR protein kinase	0.0028	0.2989	0.4472
Brugia malayi	Calcium binding EGF domain containing protein	0.0013	0.0542	0.0814
Schistosoma mansoni	hypothetical protein	0.0013	0.0542	0.0502
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.6656	0.5
Schistosoma mansoni	slit	0.0013	0.0542	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Brugia malayi	Trypsin family protein	0.001	0.0042	0.0063
Schistosoma mansoni	cpg binding protein	0.0035	0.4139	0.4115
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.6656	0.6642
Echinococcus granulosus	protein jagged 2	0.0013	0.0542	0.0784
Echinococcus multilocularis	protein jagged 1	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.003
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0013	0.0542	0.1219
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4148	0.6219
Onchocerca volvulus		0.0028	0.2989	0.7177
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.001	0.0042	0.003
Brugia malayi	GCC2 and GCC3 family protein	0.0013	0.0542	0.0814
Schistosoma mansoni	hypothetical protein	0.0015	0.0899	0.0861
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.6476	0.9729
Echinococcus granulosus	neurogenic locus notch protein	0.0013	0.0542	0.0784
Echinococcus granulosus	protein jagged 1	0.0013	0.0542	0.0784
Loa Loa (eye worm)	trypsin family protein	0.001	0.0042	0.003
Brugia malayi	Muscle positioning protein 4	0.0013	0.0542	0.0814
Onchocerca volvulus		0.0013	0.0542	0.1219
Echinococcus multilocularis	fibrillin 1	0.0035	0.4148	0.6219
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.6656	1
Echinococcus multilocularis	neural cadherin	0.0013	0.0542	0.0784
Schistosoma mansoni	hypothetical protein	0.0013	0.0542	0.0502
Echinococcus granulosus	protein jagged 1	0.0013	0.0542	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Echinococcus granulosus	GPCR family 2	0.0015	0.0899	0.1322
Schistosoma mansoni	hypothetical protein	0.0028	0.2989	0.2959
Schistosoma mansoni	hypothetical protein	0.0013	0.0542	0.0502
Brugia malayi	Trypsin-like protease protein 5	0.001	0.0042	0.0063
Brugia malayi	CXXC zinc finger family protein	0.0033	0.3825	0.5747
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Schistosoma mansoni	hypothetical protein	0.0013	0.0542	0.0502
Echinococcus multilocularis	glycoprotein Antigen 5	0.001	0.0042	0.003
Echinococcus granulosus	delta-like protein 1	0.0013	0.0542	0.0784
Schistosoma mansoni	notch	0.0013	0.0542	0.0502
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.6656	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4148	0.6219
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.003
Onchocerca volvulus		0.0013	0.0542	0.1219
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.001	0.0042	0.003
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0035	0.4148	0.4392
Echinococcus granulosus	protein jagged 2	0.0013	0.0542	0.0784
Echinococcus granulosus	transmembrane protease serine 3	0.001	0.0042	0.003
Brugia malayi	Trypsin family protein	0.001	0.0042	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0542	0.0784
Mycobacterium ulcerans	hypothetical protein	0.001	0.0042	0.5
Echinococcus multilocularis	transmembrane protease serine 3	0.001	0.0042	0.003

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: CHEMBL532092

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 1025689