TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 322.407 | Formula: C18H22N6
H donors: 0 H acceptors: 4 LogP: 2.44 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(CN2CCCCC2Cn2cncn2)nc2c1cccc2
InChi: 1S/C18H22N6/c1-14-16-7-2-3-8-17(16)22-18(21-14)11-23-9-5-4-6-15(23)10-24-13-19-12-20-24/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3
InChiKey: NLGXTCJZQAESBS-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
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0004	0.0004
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0004	0.0004
Onchocerca volvulus		0.0013	0.0045	0.012
Onchocerca volvulus	Huntingtin homolog	0.0045	0.0471	0.1266
Loa Loa (eye worm)	hypothetical protein	0.006	0.0672	0.0672
Echinococcus multilocularis	sterol regulatory element binding protein	0.031	0.4039	0.4039
Brugia malayi	ecdysteroid receptor	0.001	0.0004	0.0004
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0004	0.0004
Onchocerca volvulus	Huntingtin homolog	0.0045	0.0471	0.1266
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0026	0.0212	0.0926
Entamoeba histolytica	hypothetical protein	0.0028	0.0247	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0471	0.0471
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0004	0.0004
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0026	0.0212	0.0212
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0004	0.0012
Loa Loa (eye worm)	dihydrofolate reductase	0.005	0.0539	0.0539
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0172	0.2188	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0335	0.0335
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0247	0.0513
Schistosoma mansoni	dihydrofolate reductase	0.005	0.0539	0.0539
Schistosoma mansoni	hypothetical protein	0.0267	0.346	0.346
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0353	0.4621	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0004	0.0004
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0004	0.0004
Echinococcus granulosus	dihydrofolate reductase	0.005	0.0539	0.0539
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0004	0.0004
Echinococcus granulosus	snurportin 1	0.0372	0.4876	0.4876
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0004	0.0004
Trichomonas vaginalis	ran, putative	0.0026	0.0212	0.0437
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0004	0.0004
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0752	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0004	0.0004
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0026	0.0212	0.0202
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0172	0.2188	0.2179
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0026	0.0212	0.0212
Schistosoma mansoni	hypothetical protein	0.0372	0.4876	0.4876
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0122	0.1515	0.1515
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0353	0.0353
Mycobacterium ulcerans	putative regulatory protein	0.0013	0.0045	0.0034
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0004	0.0004
Brugia malayi	hypothetical protein	0.0045	0.0471	0.0471
Echinococcus granulosus	geminin	0.0267	0.346	0.346
Brugia malayi	hypothetical protein	0.006	0.0672	0.0672
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0004	0.0004
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0004	0.0004
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0336	0.0336
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.3722	0.8049
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0004	0.0004
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0752	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0004	0.0004
Onchocerca volvulus		0.0035	0.0344	0.0924
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0026	0.0212	0.0437
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0026	0.0212	0.0926
Loa Loa (eye worm)	hypothetical protein	0.0752	1	1
Onchocerca volvulus		0.0122	0.1515	0.4072
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0336	0.0326
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0004	0.0004
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0026	0.0212	0.0202
Echinococcus granulosus	single minded 2	0.0013	0.0045	0.0045
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0026	0.0212	0.0926
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0004	0.0004
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0058	0.0651	0.0641
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0004	0.0004
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0353	0.0353
Plasmodium vivax	SET domain protein, putative	0.0036	0.0353	0.1571
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.3254	0.3254
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0752	1	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0353	0.4621	1
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0247	0.0237
Loa Loa (eye worm)	hypothetical protein	0.031	0.4039	0.4039
Schistosoma mansoni	ran	0.0026	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0004	0.0004
Brugia malayi	RNA, U transporter 1	0.0099	0.1201	0.1201
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0011	0.0011	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0004	0.0004
Brugia malayi	steroid hormone receptor	0.001	0.0004	0.0004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0004	0.0004
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0004	0.0004
Echinococcus granulosus	thymidylate synthase	0.0122	0.1515	0.1515
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0004	0.0004
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0004	0.0012
Echinococcus granulosus	Protein patched homolog 1	0.031	0.4039	0.4039
Schistosoma mansoni	patched 1	0.031	0.4039	0.4039
Echinococcus granulosus	survival motor neuron protein 1	0.0173	0.2204	0.2204
Brugia malayi	nuclear receptor NHR-88	0.001	0.0004	0.0004
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0336	0.1495
Echinococcus multilocularis	snurportin 1	0.0372	0.4876	0.4876
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0011	0.0011	0.0011
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0353	0.0353
Echinococcus granulosus	sterol regulatory element binding protein	0.031	0.4039	0.4039
Schistosoma mansoni	coup transcription factor	0.001	0.0004	0.0004
Mycobacterium tuberculosis	Hypothetical protein	0.0058	0.0651	0.4256
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0752	1	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0353	0.1571
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0035	0.0344	0.0344
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0336	0.0336
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0004	0.0004
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0004	0.0004
Echinococcus multilocularis	protein dispatched 1	0.031	0.4039	0.4039
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Brugia malayi	bHLH-PAS transcription factor	0.0013	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0011	0.0011	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.0344	0.0344
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0004	0.0004
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0004	0.0004
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0004	0.0004
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0752	1	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.005	0.0539	0.0529
Chlamydia trachomatis	dihydrofolate reductase	0.005	0.0539	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0004	0.0012
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0752	1	1
Echinococcus multilocularis	protein patched	0.031	0.4039	0.4039
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0026	0.0212	0.0212
Brugia malayi	dihydrofolate reductase family protein	0.005	0.0539	0.0539
Onchocerca volvulus		0.0286	0.3722	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0004	0.0004
Brugia malayi	Dihydrofolate reductase	0.005	0.0539	0.0539
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0004	0.0004
Brugia malayi	Pre-SET motif family protein	0.0251	0.3254	0.3254
Brugia malayi	hypoxia-induced factor 1	0.0055	0.0609	0.0609
Echinococcus multilocularis	thymidylate synthase	0.0122	0.1515	0.1515
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0004	0.0004
Echinococcus multilocularis	geminin	0.0267	0.346	0.346
Brugia malayi	nuclear hormone receptor	0.001	0.0004	0.0004
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.4876	0.4876
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0004	0.0004
Brugia malayi	PAS domain containing protein	0.0018	0.0107	0.0107
Schistosoma mansoni	survival motor neuron protein	0.0035	0.0344	0.0344
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0004	0.0004
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0172	0.2188	0.2179
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0004	0.0004
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.005	0.0539	0.3512
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0004	0.0004
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0122	0.1515	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0026	0.0212	0.0202
Trichomonas vaginalis	conserved hypothetical protein	0.031	0.4039	0.8737
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0336	0.1495
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0353	0.0353
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0055	0.0609	0.0609
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0004	0.0004
Onchocerca volvulus		0.0036	0.0353	0.0948
Schistosoma mansoni	aryl hydrocarbon receptor	0.0018	0.0107	0.0107
Schistosoma mansoni	ran	0.0026	0.0212	0.0212
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0172	0.2188	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0173	0.2204	0.2204
Brugia malayi	Pre-SET motif family protein	0.0036	0.0353	0.0353
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0651	0.1389
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0004	0.0004
Mycobacterium ulcerans	thymidylate synthase	0.0122	0.1515	0.1506
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0336	0.0336
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.031	0.4039	0.4039
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0004	0.0004
Schistosoma mansoni	importin beta-1	0.0035	0.0336	0.0336
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0004	0.0004
Brugia malayi	exodeoxyribonuclease III family protein	0.0011	0.0011	0.0011
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0011	0.0011	0.0011
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0247	0.0513
Loa Loa (eye worm)	thymidylate synthase	0.0122	0.1515	0.1515
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0353	0.4621	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Schistosoma mansoni	ap endonuclease	0.0011	0.0011	0.0011
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0752	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0353	0.0353
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0004	0.0004
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0247	0.0237
Schistosoma mansoni	single-minded	0.0018	0.0107	0.0107
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0247	0.0513
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0172	0.2188	0.2179
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0353	0.0353
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0011	0.0011	0.0011
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Plasmodium falciparum	importin beta, putative	0.0035	0.0336	0.1495
Brugia malayi	hypothetical protein	0.0173	0.2204	0.2204
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0004	0.0004
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0026	0.0212	0.0212
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0172	0.2188	1
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0004	0.0004
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0004	0.0004
Brugia malayi	thymidylate synthase	0.0122	0.1515	0.1515
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0471	0.0471
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0353	0.0353
Echinococcus multilocularis	transfer RNA-Lys	0.0013	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0004	0.0004
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.031	0.4039	0.4039
Brugia malayi	Importin beta-1 subunit	0.0035	0.0336	0.0336
Schistosoma mansoni	hypothetical protein	0.0267	0.346	0.346
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0004	0.0004
Schistosoma mansoni	ap endonuclease	0.0011	0.0011	0.0011
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0353	0.4621	1
Entamoeba histolytica	Ran family GTPase	0.0026	0.0212	0.8515
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0004	0.0004
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0122	0.1515	1
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0752	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0353	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0173	0.2204	0.2204
Schistosoma mansoni	hypothetical protein	0.0019	0.0122	0.0122
Leishmania major	GTP-binding protein, putative	0.0026	0.0212	0.0202
Echinococcus multilocularis	dihydrofolate reductase	0.005	0.0539	0.0539
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0004	0.0004
Onchocerca volvulus		0.001	0.0004	0.0012
Echinococcus granulosus	Niemann Pick C1 protein	0.031	0.4039	0.4039
Echinococcus multilocularis	Niemann Pick C1 protein	0.031	0.4039	0.4039
Brugia malayi	hypothetical protein	0.0058	0.0651	0.0651
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0336	0.0326
Brugia malayi	CHE-14 protein	0.031	0.4039	0.4039

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: CHEMBL3497090

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2071056