TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 268.62 | Formula: C7H5ClN8O2
H donors: 0 H acceptors: 3 LogP: 2.17 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: ClCCn1nnc2n(c1=O)cnc2C(=O)N=[N+]=[N-]
InChi: 1S/C7H5ClN8O2/c8-1-2-16-7(18)15-3-10-4(5(15)11-14-16)6(17)12-13-9/h3H,1-2H2
InChiKey: YTTLQGLRDMTNNK-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	purine nucleoside phosphorylase	0.0225	0.784	0.7711
Leishmania major	nucleoside phosphorylase-like protein	0.0059	0.1727	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0283	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.067	0.0854
Schistosoma mansoni	uridine phosphorylase	0.0059	0.1727	0.1134
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0283	1	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.3994	0.5094
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.003	0.067	0.067
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0283	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0059	0.1727	0.5
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0059	0.1727	0.1236
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0059	0.1727	0.5
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0059	0.1727	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0283	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0225	0.784	0.7711
Loa Loa (eye worm)	hypothetical protein	0.0225	0.784	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.0283	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1
Entamoeba histolytica	hypothetical protein	0.0059	0.1727	0.5
Plasmodium falciparum	purine nucleoside phosphorylase	0.0059	0.1727	0.5
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0059	0.1727	0.2203
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0283	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0059	0.1727	0.5
Schistosoma mansoni	purine nucleoside phosphorylase	0.0283	1	1
Echinococcus granulosus	uridine phosphorylase 1	0.0059	0.1727	0.1236
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0059	0.1727	0.1134
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0059	0.1727	0.1236
Echinococcus granulosus	glycogen synthase	0.012	0.3994	0.3637
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0059	0.1727	0.5
Echinococcus multilocularis	uridine phosphorylase 1	0.0059	0.1727	0.1236
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0059	0.1727	0.5
Toxoplasma gondii	phosphorylase family protein	0.0059	0.1727	0.5
Loa Loa (eye worm)	hypothetical protein	0.012	0.3994	0.5094
Loa Loa (eye worm)	hypothetical protein	0.012	0.3994	0.5094
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0283	1	1
Trypanosoma brucei	uridine phosphorylase	0.0059	0.1727	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0059	0.1727	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0059	0.1727	1
Onchocerca volvulus	Glycogen synthase homolog	0.012	0.3994	0.3994
Echinococcus granulosus	lysosomal protective protein	0.003	0.067	0.0115
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0059	0.1727	0.1134
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0283	1	1
Toxoplasma gondii	phosphorylase family protein	0.0059	0.1727	0.5
Brugia malayi	Glycogen synthase	0.0049	0.1376	0.1376
Treponema pallidum	uridine phosphorylase (udp)	0.0059	0.1727	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0283	1	1
Schistosoma mansoni	uridine phosphorylase	0.0059	0.1727	0.1134
Loa Loa (eye worm)	glycogen synthase	0.0049	0.1376	0.1756
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.003	0.067	0.067
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0059	0.1727	1
Brugia malayi	uridine phosphorylase family protein	0.0059	0.1727	0.1727
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0283	1	1
Brugia malayi	MTAP	0.0059	0.1727	0.1727
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0059	0.1727	0.5
Treponema pallidum	pfs protein (pfs)	0.0059	0.1727	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0225	0.784	0.7711
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0283	1	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.3994	0.5094
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0059	0.1727	0.1134
Loa Loa (eye worm)	hypothetical protein	0.012	0.3994	0.5094
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0283	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0059	0.1727	0.5
Leishmania major	methylthioadenosine phosphorylase, putative	0.0059	0.1727	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.3994	0.5094
Loa Loa (eye worm)	uridine phosphorylase	0.0059	0.1727	0.2203
Schistosoma mansoni	glycogen synthase	0.012	0.3994	0.3563
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1376	0.1756
Chlamydia trachomatis	AMP nucleosidase	0.0059	0.1727	0.5
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0059	0.1727	1
Giardia lamblia	Glycogen synthase, putative	0.012	0.3994	0.274
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0059	0.1727	0.5
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0059	0.1727	0.5
Echinococcus multilocularis	lysosomal protective protein	0.003	0.067	0.0115
Echinococcus multilocularis	glycogen synthase	0.012	0.3994	0.3637
Brugia malayi	Glycogen synthase	0.0049	0.1376	0.1376
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0283	1	1
Brugia malayi	Glycogen synthase	0.012	0.3994	0.3994
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0059	0.1727	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0283	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Survivors (functional)	= 0	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 160 mg/kg on 5th day	ChEMBL.	2329560
Survivors (functional)	= 0	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 80 mg/kg on 5th day	ChEMBL.	2329560
Survivors (functional)	= 0	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 40 mg/kg on 5th day	ChEMBL.	2329560
Survivors (functional)	= 0	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 20 mg/kg on 5th day	ChEMBL.	2329560
Survivors (functional)	= 0	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 10 mg/kg on 5th day	ChEMBL.	2329560
T/C (functional)	= 0 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 160 mg/kg	ChEMBL.	2329560
T/C (functional)	= 96 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 40 mg/kg	ChEMBL.	2329560
T/C (functional)	= 96 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 40 mg/kg	ChEMBL.	2329560
T/C (functional)	= 97 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 20 mg/kg	ChEMBL.	2329560
T/C (functional)	= 97 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 20 mg/kg	ChEMBL.	2329560
T/C (functional)	= 101 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 10 mg/kg	ChEMBL.	2329560
T/C (functional)	= 101 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 10 mg/kg	ChEMBL.	2329560
T/C (functional)	= 106 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 80 mg/kg	ChEMBL.	2329560
T/C (functional)	= 106 %	In vivo antitumor activity against the TLX5 lymphoma cell line in mouse species CBA/CA after intraperitoneal administration (inoculum cells-2x10E5,sc) at the dose of 80 mg/kg	ChEMBL.	2329560

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.

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Detailed information for compound 40573