TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 278.353 | Formula: C13H22N6O
H donors: 2 H acceptors: 3 LogP: -0.41 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCCN(CC1)C(=O)NCCNc1nccnc1
InChi: 1S/C13H22N6O/c1-18-7-2-8-19(10-9-18)13(20)17-6-5-16-12-11-14-3-4-15-12/h3-4,11H,2,5-10H2,1H3,(H,15,16)(H,17,20)
InChiKey: WSYOOMVSOIQIBG-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
Brugia malayi	hypothetical protein	0.0027	0.0629	0.068
Loa Loa (eye worm)	CYP4Cod1	0.0013	0.0097	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0156	0.5887	0.6365
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0027	0.0629	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0629	0.068
Schistosoma mansoni	jun-related protein	0.0074	0.2564	0.2772
Echinococcus multilocularis	protein C ets 2	0.0011	0.0018	0.003
Schistosoma mansoni	gabp alpha	0.0079	0.2748	0.2971
Echinococcus granulosus	serotonin transporter	0.0156	0.5887	1
Trypanosoma brucei	cytochrome P450, putative	0.0013	0.0097	0.5
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0011	0.0018	0.003
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0097	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0027	0.0629	0.068
Onchocerca volvulus		0.0027	0.0629	0.0629
Echinococcus multilocularis	ETS transcription factor Elf 5	0.0011	0.0018	0.003
Brugia malayi	Ets-domain containing protein	0.0011	0.0018	0.0019
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0871	0.0941
Echinococcus granulosus	ETS transcription factor Elf 5	0.0011	0.0018	0.003
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0027	0.0629	0.068
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0027	0.0629	0.1069
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0027	0.0629	0.068
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0079	0.2748	0.2971
Echinococcus multilocularis	ewsr:fli fusion protein type	0.0011	0.0018	0.003
Echinococcus granulosus	ETS domain containing protein Elk 1	0.0011	0.0018	0.003
Loa Loa (eye worm)	D-ets-2 protein	0.0011	0.0018	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0156	0.5887	0.6365
Schistosoma mansoni	elf1	0.0011	0.0018	0.0019
Brugia malayi	DNA-binding protein D-ETS-3	0.0011	0.0018	0.0019
Treponema pallidum	sodium- and chloride- dependent transporter	0.0156	0.5887	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0871	0.0941
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0.0097	0.5
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0011	0.0018	0.0019
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0027	0.0629	0.1069
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0027	0.0629	0.068
Schistosoma mansoni	hypothetical protein	0.0074	0.2564	0.2772
Brugia malayi	transcription factor E74 isoform	0.0011	0.0018	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0871	0.0941
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0027	0.0629	0.068
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0027	0.0629	0.1069
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0097	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0156	0.5887	0.6365
Schistosoma mansoni	sodium/chloride dependent transporter	0.0156	0.5887	0.6365
Leishmania major	cytochrome p450-like protein	0.0013	0.0097	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0027	0.0629	0.1069
Plasmodium falciparum	amino acid transporter, putative	0.0027	0.0629	0.5
Echinococcus multilocularis	ETS transcription factor Elf 1	0.0011	0.0018	0.003
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0097	0.0105
Schistosoma mansoni	sodium/chloride dependent transporter	0.0027	0.0629	0.068
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0871	0.0941
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0027	0.0629	0.068
Echinococcus multilocularis	ETS domain containing protein Elk 1	0.0011	0.0018	0.003
Echinococcus granulosus	ETS transcription factor Elf 1	0.0011	0.0018	0.003
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0027	0.0629	0.068
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0027	0.0629	0.1069
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0871	0.1479
Onchocerca volvulus		0.0156	0.5887	0.5887
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0027	0.0629	0.1069
Echinococcus multilocularis	ets variant gene 4	0.0011	0.0018	0.003
Schistosoma mansoni	ets-related	0.0011	0.0018	0.0019
Echinococcus granulosus	GA binding protein alpha chain	0.0079	0.2748	0.4668
Onchocerca volvulus		0.0027	0.0629	0.0629
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0027	0.0629	0.068
Echinococcus granulosus	ETS transcription factor Elf 2	0.0011	0.0018	0.003
Loa Loa (eye worm)	DNA-binding protein D-ETS-3	0.0011	0.0018	0.0019
Brugia malayi	hypothetical protein	0.0072	0.2462	0.2662
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0027	0.0629	0.068
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0027	0.0629	0.068
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0018	0.0019
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0011	0.0018	0.003
Onchocerca volvulus		0.0032	0.0871	0.0871
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0097	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0027	0.0629	0.068
Loa Loa (eye worm)	ets-domain-containing protein	0.0011	0.0018	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0018	0.0019
Brugia malayi	Ets-domain containing protein	0.0079	0.2748	0.2971
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0027	0.0629	0.068
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0027	0.0629	0.1069
Trichomonas vaginalis	set domain proteins, putative	0.0258	1	0.5
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0027	0.0629	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0871	0.1479
Echinococcus granulosus	jun protein	0.0091	0.3257	0.5533
Brugia malayi	Pre-SET motif family protein	0.0032	0.0871	0.0941
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.3257	0.5533
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0629	0.068
Brugia malayi	bZIP transcription factor family protein	0.0091	0.3257	0.3522
Plasmodium falciparum	transporter, putative	0.0027	0.0629	0.5
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0871	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0156	0.5887	0.6365
Plasmodium vivax	SET domain protein, putative	0.0032	0.0871	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0018	0.0019
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0027	0.0629	0.068
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0629	0.068
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0629	0.068
Onchocerca volvulus		0.0027	0.0629	0.0629
Schistosoma mansoni	hypothetical protein	0.0011	0.0018	0.0019
Brugia malayi	Pre-SET motif family protein	0.0226	0.8732	0.9441
Echinococcus granulosus	ewsr:fli fusion protein type	0.0011	0.0018	0.003
Schistosoma mansoni	ets	0.0011	0.0018	0.0019
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0027	0.0629	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3156	0.3412
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0097	0.0105
Echinococcus multilocularis	GA binding protein alpha chain	0.0079	0.2748	0.4668
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0156	0.5887	0.6365
Loa Loa (eye worm)	norepinephrine transporter	0.0156	0.5887	0.6365
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.3257	0.5533
Echinococcus granulosus	sodium and chloride dependent glycine	0.0027	0.0629	0.1069
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0822	0.1397
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0027	0.0629	0.068
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0629	0.068
Echinococcus granulosus	sodium and chloride dependent glycine	0.0027	0.0629	0.1069
Brugia malayi	Ets-domain containing protein	0.0079	0.2748	0.2971
Onchocerca volvulus		0.0072	0.2462	0.2462
Echinococcus multilocularis	jun protein	0.0091	0.3257	0.5533
Schistosoma mansoni	sodium/chloride dependent transporter	0.0027	0.0629	0.068
Schistosoma mansoni	ets-related	0.0239	0.925	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0871	0.0941
Loa Loa (eye worm)	hypothetical protein	0.0067	0.2285	0.247
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0226	0.8732	0.9441
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0871	0.1479
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0027	0.0629	0.068
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0629	0.068
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0097	0.0105
Schistosoma mansoni	polyomavirus enhancer activator 3 pea3	0.0011	0.0018	0.0019
Loa Loa (eye worm)	serotonin transporter b	0.0156	0.5887	0.6365
Echinococcus granulosus	ETS transcription factor Elf 2	0.0011	0.0018	0.003
Echinococcus multilocularis	serotonin transporter	0.0156	0.5887	1
Brugia malayi	Fli-1 protein	0.0239	0.925	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0156	0.5887	0.6365
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0629	0.068
Loa Loa (eye worm)	fli-1 protein	0.0239	0.925	1
Echinococcus granulosus	protein C ets 2	0.0011	0.0018	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: CHEMBL3492223

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2071927