TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 297.398 | Formula: C17H23N5
H donors: 0 H acceptors: 3 LogP: 1.78 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CC1CCCN1c1cccnn1)CCc1ccncc1
InChi: 1S/C17H23N5/c1-21(13-8-15-6-10-18-11-7-15)14-16-4-3-12-22(16)17-5-2-9-19-20-17/h2,5-7,9-11,16H,3-4,8,12-14H2,1H3
InChiKey: XBSCOUQTNWWTSR-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	tar DNA binding protein	0.0029	0.488	0.488
Echinococcus multilocularis	nervana 2	0.0008	0.1036	0.1036
Schistosoma mansoni	tar DNA-binding protein	0.0029	0.488	0.488
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0309	0.0309
Echinococcus multilocularis	nervana 2	0.0008	0.1036	0.1036
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0014	0.2004	0.2906
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0004	0.0309	0.0309
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0008	0.1036	0.1036
Trichomonas vaginalis	AGC family protein kinase	0.0004	0.0309	0.0161
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0017	0.2586	0.375
Echinococcus granulosus	GPCR family 2	0.0005	0.0474	0.0474
Echinococcus granulosus	protein kinase C gamma type	0.0004	0.0309	0.0309
Trichomonas vaginalis	AGC family protein kinase	0.0004	0.0309	0.0161
Schistosoma mansoni	hypothetical protein	0.0005	0.0474	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0474	0.0687
Giardia lamblia	Kinase, AGC PKA	0.0009	0.1064	0.5
Brugia malayi	RNA binding protein	0.0029	0.488	0.7075
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.002	0.3264	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0004	0.0309	0.0309
Echinococcus multilocularis	GPCR, family 2	0.0005	0.0474	0.0474
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0017	0.2586	0.375
Echinococcus multilocularis	rac serine:threonine kinase	0.0009	0.1218	0.1218
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.2004	1
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0309	0.0309
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0004	0.0309	0.0309
Schistosoma mansoni	tar DNA-binding protein	0.0029	0.488	0.488
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1608	0.2332
Brugia malayi	Latrophilin receptor protein 2	0.0005	0.0474	0.0687
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0309	0.0309
Loa Loa (eye worm)	MH2 domain-containing protein	0.004	0.6896	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0004	0.0309	0.0448
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0022	0.3528	1
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0004	0.0309	0.0448
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0009	0.1064	0.1064
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0004	0.0309	0.0448
Schistosoma mansoni	serine/threonine-protein kinase	0.0009	0.1218	0.1218
Schistosoma mansoni	hypothetical protein	0.0005	0.0474	0.0474
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0005	0.0474	0.0474
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.2004	1
Echinococcus granulosus	tar DNA binding protein	0.0029	0.488	0.488
Loa Loa (eye worm)	TAR-binding protein	0.0029	0.488	0.7075
Schistosoma mansoni	atypical protein kinase C	0.0004	0.0309	0.0309
Schistosoma mansoni	hypothetical protein	0.0057	1	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0009	0.1218	0.5363
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0004	0.0309	0.0309
Echinococcus granulosus	NDR protein kinase	0.0004	0.0309	0.0309
Schistosoma mansoni	hypothetical protein	0.0057	1	1
Echinococcus multilocularis	protein kinase c epsilon type	0.0004	0.0309	0.0309
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0004	0.0309	0.0309
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0004	0.0309	0.0309
Plasmodium falciparum	MO15-related protein kinase	0.0022	0.3528	1
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0004	0.0309	0.0309
Schistosoma mansoni	hypothetical protein	0.0005	0.0474	0.0474
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0021	0.3383	0.3383
Echinococcus granulosus	serine/threonine protein kinase	0.0009	0.1218	0.1218
Echinococcus multilocularis	geminin	0.0057	1	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0004	0.0309	0.0309
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0004	0.0309	0.0309
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0021	0.3383	0.4906
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0021	0.3383	0.3383
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0014	0.2004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0309	0.0448
Schistosoma mansoni	tar DNA-binding protein	0.0029	0.488	0.488
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0009	0.1218	0.5363
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.2004	1
Echinococcus multilocularis	Glutaredoxin protein 5	0.0008	0.1036	0.1036
Entamoeba histolytica	protein kinase, putative	0.0013	0.185	0.909
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0009	0.1218	1
Entamoeba histolytica	protein kinase 2, putative	0.0009	0.1064	0.4453
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.2004	1
Schistosoma mansoni	tar DNA-binding protein	0.0029	0.488	0.488
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0004	0.0309	0.0309
Echinococcus granulosus	Protein kinase C brain isozyme	0.0004	0.0309	0.0309
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0021	0.3383	0.3383
Schistosoma mansoni	serine/threonine kinase	0.0004	0.0309	0.0309
Echinococcus granulosus	nervana 2	0.0008	0.1036	0.1036
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0017	0.2586	0.375
Echinococcus granulosus	Glutaredoxin protein 5	0.0008	0.1036	0.1036
Brugia malayi	Protein kinase domain containing protein	0.0014	0.2004	0.2906
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0029	0.488	0.7075
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0574	0.1696
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0008	0.1036	0.1036
Loa Loa (eye worm)	transcription factor SMAD2	0.004	0.6896	1
Schistosoma mansoni	tar DNA-binding protein	0.0029	0.488	0.488
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0309	0.0309
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0013	0.185	0.2682
Schistosoma mansoni	serine/threonine-protein kinase	0.0009	0.1218	0.1218
Brugia malayi	latrophilin 2 splice variant baaae	0.0011	0.1608	0.2332
Brugia malayi	Hr1 repeat family protein	0.0004	0.0309	0.0448
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0021	0.3383	0.4906
Brugia malayi	Protein kinase domain containing protein	0.0004	0.0309	0.0448
Echinococcus granulosus	serine:threonine protein kinase N2	0.0004	0.0309	0.0309
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0309	0.0309
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0021	0.3383	0.3383
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0005	0.0474	0.0474
Trypanosoma cruzi	Protein kinase B	0.0009	0.1218	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0005	0.0474	0.0474
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0005	0.0474	0.0687
Brugia malayi	protein kinase C II.	0.0004	0.0309	0.0448
Entamoeba histolytica	protein kinase, putative	0.0014	0.2004	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0013	0.185	0.2682
Echinococcus multilocularis	protein kinase c iota type	0.0004	0.0309	0.0309
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0004	0.0309	0.0448
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.2004	1
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.2004	1
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0309	0.0309
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0309	0.0309
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.2004	1
Echinococcus granulosus	protein kinase c iota type	0.0004	0.0309	0.0309
Trichomonas vaginalis	AGC family protein kinase	0.0005	0.0463	0.1056
Brugia malayi	MH2 domain containing protein	0.004	0.6896	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0009	0.1064	0.1064
Brugia malayi	Protein kinase domain containing protein	0.0004	0.0309	0.0448
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0021	0.3383	0.3383
Schistosoma mansoni	hypothetical protein	0.0011	0.1608	0.1608
Entamoeba histolytica	protein kinase, putative	0.0014	0.2004	1
Loa Loa (eye worm)	RNA binding protein	0.0029	0.488	0.7075
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0005	0.0474	0.0687
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0004	0.0309	0.0448
Echinococcus granulosus	nervana 2	0.0008	0.1036	0.1036
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0004	0.0309	0.0448
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0021	0.3383	0.3383
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0021	0.3383	0.3383
Loa Loa (eye worm)	hypothetical protein	0.0017	0.2586	0.375
Echinococcus granulosus	protein kinase c epsilon type	0.0004	0.0309	0.0309
Brugia malayi	TAR-binding protein	0.0029	0.488	0.7075
Echinococcus granulosus	serine threonine protein kinase nrc	0.0009	0.1064	0.1064
Schistosoma mansoni	hypothetical protein	0.0005	0.0474	0.0474
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0005	0.0474	0.0474
Brugia malayi	RNA recognition motif domain containing protein	0.0029	0.488	0.7075
Echinococcus multilocularis	serine threonine protein kinase	0.0004	0.0309	0.0309

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: CHEMBL3493171

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2068496