TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 257.291 | Formula: C13H15N5O
H donors: 1 H acceptors: 4 LogP: 1.4 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(n1)N(C(=O)c1nc(C)cnc1N)C
InChi: 1S/C13H15N5O/c1-8-5-4-6-10(16-8)18(3)13(19)11-12(14)15-7-9(2)17-11/h4-7H,1-3H3,(H2,14,15)
InChiKey: AMPDXFXINKJITK-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
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.024	0.2345	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0086	0.0453	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0157	0.1322	0.256
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	notch protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	animal heme peroxidase	0.0377	0.404	0.4185
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0122	0.0896	0.1712
Onchocerca volvulus	Peroxidase homolog	0.0377	0.404	1
Schistosoma mansoni	slit	0.0122	0.0896	0.1712
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0157	0.1322	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus multilocularis	sodium channel protein	0.0086	0.0453	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Echinococcus granulosus	notch	0.0122	0.0896	0.077
Schistosoma mansoni	notch	0.0122	0.0896	0.1712
Echinococcus granulosus	slit 2 protein	0.0122	0.0896	0.077
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Schistosoma mansoni	notch	0.0122	0.0896	0.1712
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0283	0.2881	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0127	0.0954	0.1084
Loa Loa (eye worm)	animal heme peroxidase	0.0377	0.404	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Schistosoma mansoni	laminin gamma-3 chain	0.0122	0.0896	0.1712
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Brugia malayi	Blistered cuticle protein 3	0.0377	0.404	0.3454
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0705	0.8073	0.8509
Brugia malayi	Peroxidasin	0.0377	0.404	0.3454
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus multilocularis	neurogenic locus protein delta	0.0122	0.0896	0.077
Onchocerca volvulus		0.0377	0.404	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0122	0.0896	0.077
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0157	0.1322	0.2606
Onchocerca volvulus	Peroxidase homolog	0.0377	0.404	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Loa Loa (eye worm)	animal heme peroxidase	0.0377	0.404	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Toxoplasma gondii	EGF family domain-containing protein	0.0122	0.0896	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus multilocularis	protein jagged 1	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Brugia malayi	Animal haem peroxidase family protein	0.0377	0.404	0.3454
Echinococcus multilocularis	protein jagged 1	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.024	0.2345	1
Onchocerca volvulus	Dual oxidase homolog	0.0377	0.404	1
Schistosoma mansoni	peroxidasin	0.0377	0.404	0.8306
Toxoplasma gondii	GAF domain-containing protein	0.0113	0.0785	0.8768
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0157	0.1322	1
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0157	0.1322	0.1202
Echinococcus granulosus	peroxidasin	0.0377	0.404	0.3958
Toxoplasma gondii	hypothetical protein	0.0113	0.0785	0.8768
Echinococcus multilocularis	neurogenic locus notch protein	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Schistosoma mansoni	hypothetical protein	0.0122	0.0896	0.1712
Loa Loa (eye worm)	blistered cuticle protein 3	0.0377	0.404	0.4185
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Schistosoma mansoni	notch	0.0122	0.0896	0.1712
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Trichomonas vaginalis	conserved hypothetical protein	0.0283	0.2881	1
Echinococcus granulosus	neural cadherin	0.0122	0.0896	0.077
Echinococcus granulosus	protein jagged 1	0.0122	0.0896	0.077
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0862	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0377	0.404	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0443	0.4847	0.5051
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.017	0.1491	0.3366
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Brugia malayi	Animal haem peroxidase family protein	0.0377	0.404	0.3454
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0862	1	1
Echinococcus multilocularis	slit 2 protein	0.0122	0.0896	0.077
Schistosoma mansoni	hypothetical protein	0.0122	0.0896	0.1712
Schistosoma mansoni	notch	0.0122	0.0896	0.1712
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0283	0.2881	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Echinococcus multilocularis	neurogenic locus protein delta	0.0122	0.0896	0.077
Echinococcus granulosus	protein jagged 2	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Echinococcus multilocularis	notch	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Schistosoma mansoni	hypothetical protein	0.0122	0.0896	0.1712
Echinococcus granulosus	neurogenic locus notch protein 4	0.0122	0.0896	0.077
Brugia malayi	Animal haem peroxidase family protein	0.0377	0.404	0.3454
Onchocerca volvulus	Chorion peroxidase homolog	0.0377	0.404	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus multilocularis	protein jagged 2	0.0122	0.0896	0.077
Schistosoma mansoni	cell polarity protein	0.0122	0.0896	0.1712
Schistosoma mansoni	hypothetical protein	0.0122	0.0896	0.1712
Toxoplasma gondii	hypothetical protein	0.0113	0.0785	0.8768
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Echinococcus granulosus	protein jagged 2	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Onchocerca volvulus		0.0377	0.404	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus granulosus	fibropellin Ia	0.0122	0.0896	0.077
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Toxoplasma gondii	hypothetical protein	0.0113	0.0785	0.8768
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus granulosus	sodium channel protein	0.0086	0.0453	0.0322
Schistosoma mansoni	hypothetical protein	0.0122	0.0896	0.1712
Loa Loa (eye worm)	hypothetical protein	0.0818	0.9464	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0122	0.0896	0.077
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0122	0.0896	0.077
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Mycobacterium leprae	conserved hypothetical protein	0.0113	0.0785	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0377	0.404	1
Plasmodium falciparum	GAF domain-related protein, putative	0.0113	0.0785	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0377	0.404	1
Brugia malayi	Animal haem peroxidase family protein	0.0377	0.404	0.3454
Schistosoma mansoni	hypothetical protein	0.0122	0.0896	0.1712
Schistosoma mansoni	notch	0.0122	0.0896	0.1712
Echinococcus granulosus	protein jagged 1	0.0122	0.0896	0.077
Echinococcus multilocularis	neural cadherin	0.0122	0.0896	0.077
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0157	0.1322	0.256
Schistosoma mansoni	hypothetical protein	0.0122	0.0896	0.1712
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0157	0.1322	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0157	0.1322	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0157	0.1322	1
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0443	0.4847	0.434
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Schistosoma mansoni	peroxidasin	0.0377	0.404	0.8306
Brugia malayi	hypothetical protein	0.0377	0.404	0.3454
Onchocerca volvulus		0.0377	0.404	1
Schistosoma mansoni	notch	0.0122	0.0896	0.1712
Echinococcus granulosus	neurogenic locus notch protein	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Echinococcus granulosus	neurogenic locus protein delta	0.0122	0.0896	0.077
Giardia lamblia	High cysteine protein	0.0122	0.0896	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0113	0.0785	0.5
Loa Loa (eye worm)	Notch2	0.0122	0.0896	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Leishmania major	hypothetical protein, conserved	0.0127	0.0954	0.577
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0443	0.4847	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0157	0.1322	0.1202
Schistosoma mansoni	septate junction protein	0.0122	0.0896	0.1712
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0283	0.2881	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.017	0.1491	0.3366
Brugia malayi	Animal haem peroxidase family protein	0.0377	0.404	0.3454
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0896	0.0815
Echinococcus granulosus	delta-like protein 1	0.0122	0.0896	0.077
Echinococcus multilocularis	fibropellin Ia	0.0122	0.0896	0.077
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0157	0.1322	0.256
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185
Echinococcus multilocularis	peroxidasin	0.0377	0.404	0.3958
Echinococcus granulosus	neurogenic locus notch protein	0.0122	0.0896	0.077
Loa Loa (eye worm)	hypothetical protein	0.0377	0.404	0.4185

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	0 nM	Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection method; IA=Inactive	ChEMBL.	15686941

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 316761