TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 304.367 | Formula: C14H16N4O2S
H donors: 1 H acceptors: 3 LogP: 3.01 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1sc(nc1C)N/N=C(/c1cccnc1)\C
InChi: 1S/C14H16N4O2S/c1-4-20-13(19)12-10(3)16-14(21-12)18-17-9(2)11-6-5-7-15-8-11/h5-8H,4H2,1-3H3,(H,16,18)/b17-9+
InChiKey: OEPJZLZXEYSGNE-RQZCQDPDSA-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
Brugia malayi	intermediate filament protein	0.0032	0.3678	0.343
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	G protein coupled receptor 139	0.0022	0.1433	0.1433
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	g-protein coupled receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0377	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Onchocerca volvulus		0.0032	0.3678	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0022	0.1433	0.1097
Brugia malayi	follicle stimulating hormone receptor	0.0022	0.1433	0.1097
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0022	0.1433	0.1433
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0022	0.1433	0.1433
Brugia malayi	Dopamine receptor	0.0022	0.1433	0.1097
Brugia malayi	GnHR receptor homolog	0.0022	0.1433	0.1097
Echinococcus granulosus	neuropeptides capa receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0022	0.1433	0.1433
Brugia malayi	G protein-coupled receptor	0.0022	0.1433	0.1097
Echinococcus granulosus	lamin	0.0032	0.3678	0.3678
Brugia malayi	ORL1-like opioid receptor	0.0022	0.1433	0.1097
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptide receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0022	0.1433	0.1433
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	neuropeptide receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptides capa receptor	0.0022	0.1433	0.1433
Brugia malayi	Dopamine receptor protein 1	0.0022	0.1433	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0031	0.3548	0.3548
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.006	1	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	tm gpcr rhodopsin	0.0022	0.1433	0.1433
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.006	1	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0022	0.1433	0.1433
Echinococcus granulosus	mitogen activated protein kinase 3	0.006	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.3678	0.3678
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Brugia malayi	putative neuropeptide receptor	0.0022	0.1433	0.1097
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	intermediate filament protein	0.0032	0.3678	0.3678
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0022	0.1433	0.1433
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0022	0.1433	0.1097
Echinococcus granulosus	lamin dm0	0.0032	0.3678	0.3678
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	orexin receptor type 2	0.0022	0.1433	0.1433
Loa Loa (eye worm)	TYRA-2 protein	0.0022	0.1433	0.1433
Echinococcus granulosus	neuropeptides capa receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	7TM GPCR rhodopsin	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Trichomonas vaginalis	CMGC family protein kinase	0.006	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Trypanosoma brucei	protein kinase, putative	0.006	1	0.5
Brugia malayi	neuropeptide F receptor	0.0022	0.1433	0.1097
Brugia malayi	sulfakinin receptor protein	0.0022	0.1433	0.1097
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0022	0.1433	0.1433
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	musashi	0.0032	0.3678	0.3678
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	melatonin receptor type 1A	0.0022	0.1433	0.1433
Brugia malayi	RE15519p	0.0022	0.1433	0.1097
Brugia malayi	Dopamine receptor protein 2	0.0022	0.1433	0.1097
Echinococcus granulosus	neuropeptide receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0022	0.1433	0.1433
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	fmrfamide receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Brugia malayi	G-protein coupled receptor	0.0022	0.1433	0.1097
Echinococcus granulosus	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.3678	0.3678
Brugia malayi	Serotonin receptor	0.0022	0.1433	0.1097
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.006	1	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	1	0.5
Giardia lamblia	Kinase, CMGC MAPK	0.006	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.3678	0.3678
Echinococcus multilocularis	neuropeptide Y receptor	0.0022	0.1433	0.1433
Brugia malayi	Melatonin receptor type 1A	0.0022	0.1433	0.1097
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0022	0.1433	0.1433
Brugia malayi	AKH receptor	0.0022	0.1433	0.1097
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.3678	0.343
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	g protein coupled receptor	0.0022	0.1433	0.1433
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0022	0.1433	0.1097
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.006	1	0.5
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	mitogen activated protein kinase	0.006	1	1
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.1433	0.1433
Brugia malayi	G protein-coupled receptor F59B2.13	0.0022	0.1433	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0022	0.1433	0.1433
Brugia malayi	G-protein coupled receptor	0.0022	0.1433	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	serotonin receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	sex peptide receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0022	0.1433	0.1433
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptide receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	mitogen activated protein kinase	0.006	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0022	0.1433	0.1433
Trichomonas vaginalis	CMGC family protein kinase	0.006	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0022	0.1433	0.1433
Onchocerca volvulus		0.0032	0.3678	1
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Trichomonas vaginalis	CMGC family protein kinase	0.006	1	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	7tm_1 domain containing protein	0.0022	0.1433	0.1433
Echinococcus granulosus	neuropeptide Y receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0022	0.1433	0.1433
Echinococcus granulosus	somatostatin receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptides capa receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus granulosus	sex peptide receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0022	0.1433	0.1433
Echinococcus granulosus	g protein coupled receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	somatostatin receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Brugia malayi	larval opioid receptor	0.0022	0.1433	0.1097
Echinococcus multilocularis	g protein coupled receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	biogenic amine 5HT receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	lamin	0.0032	0.3678	0.3678
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0022	0.1433	0.1433
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	fmrfamide receptor	0.0022	0.1433	0.1433
Brugia malayi	putative neuropeptide receptor NPR1	0.0022	0.1433	0.1097
Echinococcus granulosus	neuropeptide s receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	g protein coupled receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptide Y receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptide s receptor	0.0022	0.1433	0.1433
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Trichomonas vaginalis	CMGC family protein kinase	0.006	1	0.5
Schistosoma mansoni	intermediate filament proteins	0.0032	0.3678	0.262
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Brugia malayi	neuropeptide F receptor	0.0022	0.1433	0.1097
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptide receptor A26	0.0022	0.1433	0.1433
Echinococcus granulosus	serotonin receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	tm gpcr rhodopsin	0.0022	0.1433	0.1433
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.006	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	allatostatin A receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0022	0.1433	0.1433
Echinococcus multilocularis	G protein coupled receptor 139	0.0022	0.1433	0.1433
Schistosoma mansoni	serine/threonine protein kinase	0.006	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.1433	0.1433
Echinococcus granulosus	g protein coupled receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	g-protein coupled receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	serotonin receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0022	0.1433	0.1433
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0022	0.1433	0.1097
Echinococcus granulosus	dro:myosuppressin receptor	0.0022	0.1433	0.1433
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.006	1	0.5
Echinococcus multilocularis	lamin dm0	0.0032	0.3678	0.3678
Schistosoma mansoni	lamin	0.0032	0.3678	0.262
Brugia malayi	hypothetical protein	0.0022	0.1433	0.1097
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus multilocularis	g protein coupled receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	fmrfamide receptor	0.0022	0.1433	0.1433
Echinococcus granulosus	neuropeptide FF receptor 2	0.0022	0.1433	0.1433
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0022	0.1433	0.1433
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0022	0.1433	0.1097
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0022	0.1433	0.1097
Brugia malayi	Serotonin receptor	0.0022	0.1433	0.1097
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.006	1	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	allatostatin A receptor	0.0022	0.1433	0.1433
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0022	0.1433	0.1433
Echinococcus multilocularis	dro:myosuppressin receptor	0.0022	0.1433	0.1433
Schistosoma mansoni	lamin	0.0032	0.3678	0.262
Echinococcus multilocularis	mitogen activated protein kinase 3	0.006	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Echinococcus granulosus	neuropeptide receptor A26	0.0022	0.1433	0.1433
Echinococcus granulosus	neuropeptide Y receptor	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1433	0.1433

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: CHEMBL2436512

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 1789119