TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.374 | Formula: C15H22N6O3
H donors: 1 H acceptors: 4 LogP: -0.75 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H]1CN(C)C[C@@H](O1)n1cnc2c1ncnc2N1CCOCC1
InChi: 1S/C15H22N6O3/c1-19-6-11(8-22)24-12(7-19)21-10-18-13-14(16-9-17-15(13)21)20-2-4-23-5-3-20/h9-12,22H,2-8H2,1H3/t11-,12+/m0/s1
InChiKey: WMYWYVVJDILEAM-NWDGAFQWSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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	Pre-SET motif family protein	0.0029	0.0171	0.0581
Brugia malayi	hypothetical protein	0.0019	0.0088	0.03
Brugia malayi	A-kinase anchor protein 10, precursor	0.0019	0.0088	0.03
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0019	0.0088	0.03
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0552	0.1871
Onchocerca volvulus		0.023	0.1776	1
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0088	0.03
Trypanosoma brucei	hypothetical protein	0.0108	0.0807	0.5
Brugia malayi	PXA domain containing protein	0.0019	0.0088	0.03
Loa Loa (eye worm)	RGS-3 protein	0.0019	0.0088	0.03
Schistosoma mansoni	lamin	0.0053	0.0363	0.1167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0108	0.0807	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.03
Brugia malayi	NC domain containing protein	0.004	0.0256	0.0868
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0243	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0384	0.1236
Trichomonas vaginalis	set domain proteins, putative	0.023	0.1776	1
Brugia malayi	hypothetical protein	0.0118	0.0883	0.2996
Brugia malayi	hypothetical protein	0.0008	0.0006	0.0021
Schistosoma mansoni	hypothetical protein	0.0396	0.311	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.027	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0243	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.0363	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.03
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.027	0.1491
Brugia malayi	TAR-binding protein	0.0076	0.0552	0.1871
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.1063	0.3606
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0088	0.0284
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0088	0.0284
Loa Loa (eye worm)	PXA domain-containing protein	0.0019	0.0088	0.03
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0088	0.0284
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0088	0.0284
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0552	0.1871
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Echinococcus granulosus	dnaJ subfamily B	0.0396	0.311	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Brugia malayi	Alpha-L-fucosidase family protein	0.0376	0.2949	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.03
Mycobacterium ulcerans	alpha-L-fucosidase	0.0376	0.2949	0.2944
Onchocerca volvulus		0.0053	0.0363	0.2044
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0552	0.1774
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0019	0.0088	0.03
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.0355	0.1202
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0171	0.055
Echinococcus granulosus	lamin	0.0053	0.0363	0.1167
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0019	0.0088	0.0284
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0088	0.0284
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0384	0.1236
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0171	0.055
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0552	0.1774
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0088	0.0464
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.1063	0.3419
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0171	0.055
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0108	0.0807	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0088	0.0464
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0088	0.0284
Trypanosoma brucei	calpain-like protein, putative	0.0108	0.0807	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0144	0.0463
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.0384	0.0378
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0019	0.0088	0.0284
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0108	0.0807	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0028	0.0167	0.0565
Mycobacterium ulcerans	arylamine N-acetyltransferase Nat	0.1258	1	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0088	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0363	0.1231
Echinococcus multilocularis	lamin dm0	0.0053	0.0363	0.1167
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.0384	0.1236
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0088	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0136	0.0462
Brugia malayi	regulator of G-protein signaling rgs-7	0.0019	0.0088	0.03
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0384	0.0378
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0088	0.0284
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0019	0.0088	0.0284
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0088	0.0464
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0171	0.055
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0108	0.0807	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0171	0.0581
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0088	0.0284
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0088	0.0284
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0088	0.0284
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0088	0.0464
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0376	0.2949	0.948
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0171	0.055
Brugia malayi	Sulfatase family protein	0.0008	0.0006	0.0021
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0552	0.1774
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0088	0.03
Brugia malayi	cytoplasmic intermediate filament protein	0.0028	0.0167	0.0565
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0552	0.1774
Echinococcus granulosus	intermediate filament protein	0.0053	0.0363	0.1167
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0108	0.0807	1
Brugia malayi	follicle stimulating hormone receptor	0.0224	0.1735	0.5884
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0019	0.0088	0.0284
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0088	0.0464
Brugia malayi	Pre-SET motif family protein	0.0202	0.1553	0.5267
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.03
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0171	0.055
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0088	0.0284
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0019	0.0088	0.0464
Echinococcus granulosus	expressed protein	0.0362	0.2833	0.9109
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0088	0.03
Echinococcus multilocularis	dnaJ subfamily B	0.0396	0.311	1
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0088	0.0284
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0088	0.0284
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0088	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0006	0.0021
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0171	0.055
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0108	0.0807	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0144	0.0489
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.027	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0088	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0006	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0307	0.2399	0.8135
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0088	0.0284
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.1063	0.3419
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.0363	0.1231
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0243	1
Onchocerca volvulus		0.0029	0.0171	0.0964
Brugia malayi	PXA domain containing protein	0.0019	0.0088	0.03
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0088	0.0284
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0224	0.1735	0.5884
Loa Loa (eye worm)	acetyltransferase	0.014	0.1063	0.3606
Brugia malayi	RNA binding protein	0.0076	0.0552	0.1871
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.1553	0.5267
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0355	0.1205
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.03
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0088	0.0284
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0088	0.0284
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.0363	0.1231
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0019	0.0088	0.0284
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.027	0.1491
Echinococcus multilocularis	expressed protein	0.0362	0.2833	0.9109
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.0807	0.5
Echinococcus multilocularis	musashi	0.0053	0.0363	0.1167
Toxoplasma gondii	hypothetical protein	0.004	0.0256	0.8577
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0088	0.03
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0088	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.03
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0088	0.0284
Schistosoma mansoni	intermediate filament proteins	0.0053	0.0363	0.1167
Echinococcus granulosus	lamin dm0	0.0053	0.0363	0.1167
Brugia malayi	hypothetical protein	0.0019	0.0088	0.03
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.1032	0.3317
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0552	0.1871
Echinococcus multilocularis	lamin	0.0053	0.0363	0.1167
Echinococcus granulosus	Regulator of G protein signaling 20	0.0019	0.0088	0.0284
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0165	0.126	0.7083
Schistosoma mansoni	alpha-l-fucosidase	0.0376	0.2949	0.948
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0552	0.1774
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0144	0.0463
Onchocerca volvulus	UPF0528 protein homolog	0.004	0.0256	0.1442
Loa Loa (eye worm)	alpha-L-fucosidase	0.0376	0.2949	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0384	0.0378
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0019	0.0088	0.03
Brugia malayi	intermediate filament protein	0.0053	0.0363	0.1231
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0376	0.2949	0.948
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0552	0.1774
Trypanosoma brucei	calpain, putative	0.0108	0.0807	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0088	0.0284
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0552	0.1871
Onchocerca volvulus		0.0053	0.0363	0.2044
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.027	0.0869
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0108	0.0807	0.5
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0088	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0136	0.0462
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0019	0.0088	0.0284
Schistosoma mansoni	lamin	0.0053	0.0363	0.1167
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0088	0.0284
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0384	0.1304
Loa Loa (eye worm)	hypothetical protein	0.004	0.0256	0.0868
Onchocerca volvulus	GPI ethanolamine phosphate transferase 1 homolog	0.0008	0.0006	0.0036
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0552	0.1774
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.027	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0165	0.126	0.7083
Echinococcus multilocularis	regulator of G protein signaling	0.0019	0.0088	0.0284
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0163	0.0523

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5012 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2356608

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 1758633