TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 304.348 | Formula: C14H20N6O2
H donors: 1 H acceptors: 4 LogP: 0.68 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1n[nH]c(n1)C1OCCN(C1)Cc1onc(n1)C1CC1
InChi: 1S/C14H20N6O2/c1-2-11-15-14(18-17-11)10-7-20(5-6-21-10)8-12-16-13(19-22-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,15,17,18)
InChiKey: JHJBRLTZGCTQGV-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
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Echinococcus multilocularis	serotonin receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Schistosoma mansoni	biogenic amine receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	amine GPCR	0.0058	0.0041	0.0033
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0058	0.0041	0.0028
Echinococcus multilocularis	neuropeptide receptor A26	0.0058	0.0041	0.0028
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0058	0.0041	0.0028
Schistosoma mansoni	neuropeptide F-like receptor	0.0058	0.0041	0.0033
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0061	0.0045	0.0004
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	1.0013	1	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.007	0.0053	0.004
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0058	0.0041	0.5
Echinococcus granulosus	hypothetical protein	0.0058	0.0041	0.0028
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Schistosoma mansoni	hypothetical protein	0.0058	0.0041	0.0033
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	fmrfamide receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.3776	0.376	1
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	myosin xvIII	0.0058	0.0041	0.0033
Echinococcus granulosus	serotonin receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0041	0.0033
Echinococcus multilocularis	orexin receptor type 2	0.0058	0.0041	0.0028
Loa Loa (eye worm)	hypothetical protein	0.007	0.0053	0.0014
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Schistosoma mansoni	beta-galactosidase	0.0085	0.0068	0.0064
Echinococcus granulosus	neuropeptide receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	neuropeptide Y receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus multilocularis	allatostatin A receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0058	0.0041	0.0028
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0058	0.0041	0.0033
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0058	0.0041	0.0028
Leishmania major	tyrosyl-tRNA synthetase, putative	0.0017	0	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	neuropeptide Y receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0058	0.0041	0.0033
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0058	0.0041	0.0028
Echinococcus multilocularis	g protein coupled receptor	0.0058	0.0041	0.0028
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0061	0.0045	0.0004
Schistosoma mansoni	neuropeptide f receptor 76f	0.0058	0.0041	0.0033
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0058	0.0041	0.0028
Echinococcus multilocularis	somatostatin receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus granulosus	G protein coupled receptor 139	0.0058	0.0041	0.0028
Schistosoma mansoni	opsin-like receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	biogenic amine receptor	0.0058	0.0041	0.0033
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0026	0.0009	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	amine GPCR	0.0058	0.0041	0.0033
Echinococcus granulosus	beta galactosidase	0.0085	0.0068	0.0055
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus multilocularis	neuropeptide Y receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0058	0.0041	0.0033
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Schistosoma mansoni	alpha-l-fucosidase	0.8606	0.8593	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.2168	0.2152	0.2142
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.007	0.0053	0.0047
Loa Loa (eye worm)	alpha-L-fucosidase	0.8606	0.8593	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.007	0.0053	0.004
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	g-protein coupled receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0058	0.0041	0.0033
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0061	0.0045	0.0032
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0061	0.0045	0.0032
Plasmodium vivax	hypothetical protein, conserved	0.0026	0.0009	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0058	0.0041	0.0033
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	0.0017	0	0.5
Trypanosoma cruzi	tyrosyl-tRNA synthetase, putative	0.0017	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	hypothetical protein	0.1167	0.115	0.1326
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0058	0.0041	0.0033
Echinococcus multilocularis	sex peptide receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	histamine h1 receptor	0.0058	0.0041	0.0033
Echinococcus granulosus	g protein coupled receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Mycobacterium ulcerans	alpha-L-fucosidase	1.0013	1	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0058	0.0041	0.0033
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.007	0.0053	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Loa Loa (eye worm)	indoleamine 2,3-dioxygenase	0.1167	0.115	0.1297
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	G protein coupled receptor 139	0.0058	0.0041	0.0028
Echinococcus multilocularis	g protein coupled receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	neuropeptide receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0058	0.0041	0.0028
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	neuropeptide receptor A26	0.0058	0.0041	0.0028
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.2273	0.2257	0.2615
Entamoeba histolytica	tyrosyl-tRNA synthetase, putative	0.0017	0	0.5
Onchocerca volvulus		0.0058	0.0041	0.5
Schistosoma mansoni	amine GPCR	0.0058	0.0041	0.0033
Echinococcus granulosus	neuropeptide s receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0058	0.0041	0.0028
Schistosoma mansoni	biogenic amine receptor	0.0058	0.0041	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0068	0.0032
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus granulosus	g protein coupled receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0058	0.0041	0.0028
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0058	0.0041	0.0028
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0058	0.0041	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus granulosus	orexin receptor type 2	0.0058	0.0041	0.0028
Echinococcus granulosus	allatostatin A receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0058	0.0041	0.0033
Echinococcus granulosus	7TM GPCR rhodopsin	0.0058	0.0041	0.0028
Echinococcus multilocularis	neuropeptide receptor	0.0058	0.0041	0.0028
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.007	0.0053	1
Schistosoma mansoni	amine GPCR	0.0058	0.0041	0.0033
Echinococcus granulosus	neuropeptide receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0058	0.0041	0.0033
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	hypothetical protein	0.0058	0.0041	0.0033
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	neuropeptide Y receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0058	0.0041	0.0028
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0058	0.0041	0.0028
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.3776	0.376	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0058	0.0041	0.0028
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0058	0.0041	0.0033
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0058	0.0041	0.0028
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	0.0213	0.0201
Brugia malayi	GnHR receptor homolog	0.5339	0.5324	0.6178
Schistosoma mansoni	hypothetical protein	0.0058	0.0041	0.0033
Echinococcus multilocularis	neuropeptides capa receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus multilocularis	beta galactosidase	0.0085	0.0068	0.0055
Schistosoma mansoni	amine GPCR	0.0058	0.0041	0.0033
Schistosoma mansoni	hypothetical protein	0.1167	0.115	0.1326
Echinococcus granulosus	tm gpcr rhodopsin	0.0058	0.0041	0.0028
Echinococcus granulosus	neuropeptides capa receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.2168	0.2152	0.2142
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.007	0.0053	0.004
Echinococcus granulosus	sex peptide receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0058	0.0041	0.0028
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0058	0.0041	0.0028
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0041	0.0033
Onchocerca volvulus		0.0058	0.0041	0.5
Schistosoma mansoni	opsin-like receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0058	0.0041	0.0033
Brugia malayi	follicle stimulating hormone receptor	0.0229	0.0213	0.0201
Echinococcus granulosus	neuropeptides capa receptor	0.0058	0.0041	0.0028
Onchocerca volvulus		0.0058	0.0041	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	indoleamine 23 dioxygenase 2	0.1167	0.115	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0068	0.0032
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0058	0.0041	0.0033
Echinococcus granulosus	7tm_1 domain containing protein	0.0058	0.0041	0.0028
Brugia malayi	Alpha-L-fucosidase family protein	0.8606	0.8593	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0058	0.0041	0.0033
Echinococcus multilocularis	indoleamine 2,3 dioxygenase 2	0.1167	0.115	0.1139
Echinococcus granulosus	neuropeptide FF receptor 2	0.0058	0.0041	0.0028
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0058	0.0041	0.0033
Echinococcus multilocularis	dro:myosuppressin receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	opsin-like receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	adenoreceptor	0.0058	0.0041	0.0033
Echinococcus multilocularis	serotonin receptor	0.0058	0.0041	0.0028
Schistosoma mansoni	growth hormone secretagogue receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0413	0.0397	0.0447
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0058	0.0041	0.0033
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Echinococcus granulosus	g protein coupled receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.007	0.0053	0.004
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0041	0.0033
Brugia malayi	indoleamine 2,3-dioxygenase	0.1167	0.115	0.1297
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0041	0.0028
Echinococcus multilocularis	neuropeptides capa receptor	0.0058	0.0041	0.0028
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0058	0.0041	0.0028
Schistosoma mansoni	hypothetical protein	0.0058	0.0041	0.0033
Echinococcus granulosus	tm gpcr rhodopsin	0.0058	0.0041	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0041	0.0033
Echinococcus multilocularis	g protein coupled receptor	0.0058	0.0041	0.0028
Echinococcus granulosus	somatostatin receptor	0.0058	0.0041	0.0028

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: CHEMBL3493505

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 2071454