TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 267.329 | Formula: C15H17N5
H donors: 1 H acceptors: 3 LogP: 2.59 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(Nc1c(nc2n1ccnc2)c1ccncc1)(C)C
InChi: 1S/C15H17N5/c1-15(2,3)19-14-13(11-4-6-16-7-5-11)18-12-10-17-8-9-20(12)14/h4-10,19H,1-3H3
InChiKey: OFHIVSYHSZWHAP-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	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0617
Schistosoma mansoni	hypothetical protein	0.005	0.0496	0.0005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0483	1	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0076	0.1079	1
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0856	0.0378
Echinococcus granulosus	aminopeptidase N	0.0076	0.1079	0.0613
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0155	0.2801	0.2425
Loa Loa (eye worm)	hypothetical protein	0.005	0.0496	0.0496
Echinococcus multilocularis	GPCR, family 2	0.005	0.0496	0.0005
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0483	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0492	0.0492
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0076	0.1079	0.385
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0076	0.1079	1
Echinococcus multilocularis	aminopeptidase N	0.0076	0.1079	0.0617
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0856	0.0383
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0076	0.1079	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0617
Echinococcus multilocularis	sodium channel protein	0.0155	0.2801	0.2429
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1757	0.1757
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0076	0.1079	0.0617
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0496	0.0005
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0148	0.2665	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0492	0.0492
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0496	0.0496
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0613
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0076	0.1079	0.0617
Echinococcus granulosus	sodium channel protein	0.0155	0.2801	0.2425
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0049	0.0492	0.4562
Mycobacterium tuberculosis	Probable aminotransferase	0.0148	0.2665	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0617
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0157	0.2843	0.2843
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0856	0.0383
Loa Loa (eye worm)	pax transcription factor protein 2	0.0252	0.4934	0.4934
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0	0.5
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0148	0.2665	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0613
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0856	0.0383
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0076	0.1079	0.385
Brugia malayi	Pax transcription factor protein 2	0.0252	0.4934	0.4934
Schistosoma mansoni	hypothetical protein	0.0107	0.1757	0.133
Brugia malayi	hypothetical protein	0.0076	0.1079	0.1079
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0613
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0617
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0148	0.2665	1
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0076	0.1079	1
Schistosoma mansoni	hypothetical protein	0.005	0.0496	0.0005
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0856	0.0856
Brugia malayi	Peptidase family M1 containing protein	0.0076	0.1079	0.1079
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0496	0.0496
Onchocerca volvulus		0.0252	0.4934	1
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0148	0.2665	0.5
Schistosoma mansoni	hypothetical protein	0.005	0.0496	0.0005
Loa Loa (eye worm)	aminopeptidase N	0.0076	0.1079	0.1079
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0856	0.0856
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0157	0.2843	0.2843
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0483	1	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0613
Trypanosoma brucei	Aminopeptidase M1, putative	0.0076	0.1079	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0157	0.2843	0.2843
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0483	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0856	0.0856
Brugia malayi	latrophilin 2 splice variant baaae	0.0107	0.1757	0.1757
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0155	0.2801	1
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0856	0.0383
Entamoeba histolytica	aminopeptidase, putative	0.0076	0.1079	0.5
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0856	0.0856
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0496	0.0005
Brugia malayi	RNA binding protein	0.0066	0.0856	0.0856
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0483	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0856	0.0383
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0076	0.1079	0.0617
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0076	0.1079	0.0617
Schistosoma mansoni	hypothetical protein	0.005	0.0496	0.0005
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0496	0.0496
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0483	1	1
Brugia malayi	TAR-binding protein	0.0066	0.0856	0.0856
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0483	1	1
Trypanosoma cruzi	aminopeptidase, putative	0.0076	0.1079	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0492	0.0492
Mycobacterium ulcerans	hypothetical protein	0.0148	0.2665	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0483	1	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2843	0.2843
Brugia malayi	Peptidase family M1 containing protein	0.0076	0.1079	0.1079
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0856	0.0383

Activities

Activity type	Assay description	Source	Reference
Activity (functional)	Agonist activity at human TLR5 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline phosphatase up to 250 uM by HEK-blue reporter gene assay	ChEMBL.	22924757
Activity (functional)	Agonist activity at human TLR7 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline phosphatase up to 250 uM by HEK-blue reporter gene assay	ChEMBL.	22924757
Activity (functional)	Agonist activity at human TLR3 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline phosphatase up to 250 uM by HEK-blue reporter gene assay	ChEMBL.	22924757
Activity (functional)	Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline phosphatase up to 250 uM by HEK-blue reporter gene assay	ChEMBL.	22924757
Activity (functional)	Agonist activity at human TLR9 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline phosphatase up to 250 uM by HEK-blue reporter gene assay	ChEMBL.	22924757
Activity (functional)	Agonist activity at human TLR4 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline phosphatase up to 250 uM by HEK-blue reporter gene assay	ChEMBL.	22924757

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: CHEMBL2177893

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1721874