TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 320.39 | Formula: C15H24N6O2
H donors: 1 H acceptors: 4 LogP: 1.06 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCc1noc(n1)CNC1CCc2n(C1)nc(n2)C(C)C
InChi: 1S/C15H24N6O2/c1-10(2)15-18-13-5-4-11(9-21(13)19-15)16-8-14-17-12(20-23-14)6-7-22-3/h10-11,16H,4-9H2,1-3H3
InChiKey: PNVCFFNLUPFFSK-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	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0481	0.1031
Brugia malayi	steroid hormone receptor	0.0012	0.017	0.017
Schistosoma mansoni	protein kinase C mu	0.0013	0.0203	0.0436
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0202	0.0202
Schistosoma mansoni	beta-mannosidase	0.0139	0.3921	0.8401
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0773	0.0773
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0481	0.5
Brugia malayi	intermediate filament protein	0.0033	0.0773	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0755	0.0755
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0027	0.0599	0.0903
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0773	0.0773
Brugia malayi	ecdysteroid receptor	0.0012	0.017	0.017
Echinococcus multilocularis	transfer RNA-Lys	0.0076	0.2057	0.4408
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.017	0.017
Schistosoma mansoni	aryl hydrocarbon receptor	0.0103	0.2847	0.6099
Brugia malayi	hypoxia-induced factor 1	0.0318	0.9211	0.9211
Schistosoma mansoni	apoferritin-2	0.001	0.0112	0.024
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.017	0.0365
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.4668	1
Trichomonas vaginalis	beta-mannosidase, putative	0.0139	0.3921	0.7072
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.4307	0.9226
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0599	0.0599
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.017	0.0365
Trichomonas vaginalis	glycoside hydrolase, putative	0.0192	0.5498	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0027	0.0599	0.0903
Leishmania major	protein kinase, putative	0.0027	0.06	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0274	0.0274
Echinococcus granulosus	ferritin	0.001	0.0112	0.026
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0481	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.017	0.0061
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0481	1
Brugia malayi	bHLH-PAS transcription factor	0.0076	0.2057	0.2057
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0481	0.0481
Echinococcus granulosus	beta mannosidase	0.0139	0.3921	0.9106
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0027	0.0599	0.9889
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0027	0.0599	0.0903
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.017	0.017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.017	0.017
Schistosoma mansoni	protein phosphatase 2C	0.0031	0.0725	0.1553
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.017	0.0395
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.017	0.0365
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0773	0.0773
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.017	0.0395
Schistosoma mansoni	single-minded	0.0103	0.2847	0.6099
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.017	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0344	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.017	0.017
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.017	0.0061
Brugia malayi	nuclear hormone receptor	0.0012	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Trichomonas vaginalis	conserved hypothetical protein	0.0192	0.5498	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0481	0.1117
Echinococcus granulosus	protein phosphatase 1b	0.0031	0.0725	0.1683
Echinococcus granulosus	intermediate filament protein	0.0033	0.0773	0.1794
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.017	0.017
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0481	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0599	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0159	0.0159
Schistosoma mansoni	protein phosphatase 2C	0.0031	0.0725	0.1553
Echinococcus multilocularis	expressed protein	0.001	0.0112	0.024
Schistosoma mansoni	hypothetical protein	0.0152	0.4307	0.9226
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.017	0.0365
Echinococcus granulosus	expressed protein	0.001	0.0112	0.026
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0214	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Echinococcus multilocularis	musashi	0.0033	0.0773	0.1655
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Toxoplasma gondii	exonuclease III APE	0.0023	0.0481	0.5
Schistosoma mansoni	ferritin	0.001	0.0112	0.024
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0013	0.0203	0.0203
Trichomonas vaginalis	guanylate cyclase, putative	0.0027	0.0599	0.0903
Loa Loa (eye worm)	beta-glucuronidase	0.0192	0.5498	0.5498
Echinococcus granulosus	protein phosphatase 1b	0.0035	0.0857	0.1991
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.017	0.0365
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.017	0.0395
Echinococcus granulosus	lamin	0.0033	0.0773	0.1794
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0318	0.9211	0.9211
Onchocerca volvulus		0.0076	0.2057	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0599	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0159	0.0159
Echinococcus multilocularis	protein phosphatase 1b	0.0031	0.0725	0.1553
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.017	0.017
Schistosoma mansoni	ap endonuclease	0.0023	0.0481	0.1031
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.017	0.017
Echinococcus multilocularis	beta mannosidase	0.0139	0.3921	0.8401
Schistosoma mansoni	lamin	0.0033	0.0773	0.1655
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0027	0.0599	0.139
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0274	0.0587
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.4668	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.017	0.017
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.017	0.017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.017	0.017
Loa Loa (eye worm)	manba-prov protein	0.0139	0.3921	0.3921
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.017	0.0395
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.017	0.017
Loa Loa (eye worm)	protein phosphatase 2C containing protein	0.0035	0.0857	0.0857
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.017	0.0365
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.017	0.0365
Leishmania major	protein kinase, putative	0.0027	0.06	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0325	0.0325
Schistosoma mansoni	ap endonuclease	0.0023	0.0481	0.1031
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0027	0.0599	0.0903
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0599	0.0903
Schistosoma mansoni	ferritin	0.001	0.0112	0.024
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.017	0.0365
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.017	0.017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.017	0.017
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0027	0.0599	0.0903
Echinococcus multilocularis	lamin dm0	0.0033	0.0773	0.1655
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.017	0.017
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.017	0.0365
Trichomonas vaginalis	adenylate cyclase, putative	0.0027	0.0599	0.0903
Echinococcus multilocularis	lamin	0.0033	0.0773	0.1655
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Schistosoma mansoni	apoferritin-2	0.001	0.0112	0.024
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.017	0.0365
Brugia malayi	Beta-glucuronidase precursor	0.0192	0.5498	0.5498
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.017	0.017
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0481	1
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0027	0.0599	0.1283
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.017	0.0395
Onchocerca volvulus		0.0033	0.0773	0.3234
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0481	0.5
Brugia malayi	PAS domain containing protein	0.0103	0.2847	0.2847
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.0414	0.0414
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.017	0.0365
Onchocerca volvulus		0.0012	0.017	0.0061
Brugia malayi	Protein phosphatase 2C containing protein	0.0035	0.0857	0.0857
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0325	0.0325
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0027	0.0599	0.0599
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.017	0.0061
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.017	0.017
Schistosoma mansoni	ferritin light chain	0.001	0.0112	0.024
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0027	0.0599	0.9889
Onchocerca volvulus		0.0014	0.0214	0.029
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0027	0.0599	0.1283
Brugia malayi	Cytochrome P450 family protein	0.002	0.0414	0.0414
Echinococcus multilocularis	ferritin	0.001	0.0112	0.024
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0027	0.06	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.4307	1
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0027	0.0599	0.5
Mycobacterium leprae	Possible regulatory protein	0.0027	0.0599	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0027	0.06	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0481	1
Echinococcus granulosus	aryl hydrocarbon receptor	0.0027	0.0599	0.139
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0027	0.0599	0.0903
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.017	0.0365
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.017	0.017
Schistosoma mansoni	ferritin light chain	0.001	0.0112	0.024
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0773	0.1655
Onchocerca volvulus		0.0013	0.0202	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.017	0.017
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.017	0.0395
Onchocerca volvulus		0.0027	0.0599	0.2317
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.017	0.017
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0773	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.017	0.017
Schistosoma mansoni	protein phosphatase 2C	0.0035	0.0857	0.1837
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.017	0.0395
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0481	0.0481
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0013	0.0203	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0257	0.0257
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0481	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0257	0.0257
Echinococcus granulosus	lamin dm0	0.0033	0.0773	0.1794
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.017	0.0395
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0481	0.1897
Schistosoma mansoni	lamin	0.0033	0.0773	0.1655
Echinococcus granulosus	single minded 2	0.0076	0.2057	0.4777
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0027	0.06	1
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.4668	1
Brugia malayi	manba-prov protein	0.0331	0.961	0.961
Brugia malayi	C1-like domain containing protein	0.0013	0.0203	0.0203
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0274	0.0637
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0012	0.017	0.017
Onchocerca volvulus		0.0033	0.0773	0.3234
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0012	0.016	0.016
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.017	0.0395
Echinococcus multilocularis	protein phosphatase 1b	0.0035	0.0857	0.1837
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0481	0.0685
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.017	0.0365
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.017	0.0365
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0027	0.06	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.017	0.0365
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.017	0.0365
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.017	0.0365
Schistosoma mansoni	coup transcription factor	0.0012	0.017	0.0365
Schistosoma mansoni	ferritin	0.001	0.0112	0.024
Brugia malayi	nuclear receptor NHR-88	0.0012	0.017	0.017
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.017	0.017
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0481	0.0685
Trichomonas vaginalis	beta-galactosidase, putative	0.0192	0.5498	1
Mycobacterium ulcerans	putative regulatory protein	0.0076	0.2057	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0027	0.0599	0.9889
Schistosoma mansoni	ferritin	0.001	0.0112	0.024

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: CHEMBL3497162

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 2071083