TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 292.784 | Formula: C14H13ClN2OS
H donors: 2 H acceptors: 1 LogP: 3.22 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1sc2c(c1C(=O)c1ccccc1Cl)CCNC2
InChi: 1S/C14H13ClN2OS/c15-10-4-2-1-3-8(10)13(18)12-9-5-6-17-7-11(9)19-14(12)16/h1-4,17H,5-7,16H2
InChiKey: YLRJNIHUKQLSLB-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
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.1106	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Echinococcus granulosus	uridine phosphorylase 1	0.0229	0.1331	0.1331
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.1331
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.5
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0229	0.1331	0.1143
Trichomonas vaginalis	conserved hypothetical protein	0.0229	0.1331	0.1331
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0229	0.1331	0.7568
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0229	0.1331	0.1331
Brugia malayi	glutathione reductase	0.0272	0.1759	0.1759
Trypanosoma brucei	uridine phosphorylase	0.0229	0.1331	0.7568
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0229	0.1331	1
Leishmania major	methylthioadenosine phosphorylase, putative	0.0229	0.1331	0.7568
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0229	0.1331	0.1331
Brugia malayi	Thioredoxin reductase	0.0272	0.1759	0.1759
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.1106	1	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.1106	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0272	0.1759	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.1331
Echinococcus multilocularis	peroxidasin	0.0145	0.0505	0.0505
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.5
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0229	0.1331	0.1331
Plasmodium falciparum	glutathione reductase	0.0272	0.1759	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0229	0.1331	0.7568
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1106	1	1
Plasmodium vivax	glutathione reductase, putative	0.0272	0.1759	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.1106	1	1
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0229	0.1331	0.1331
Brugia malayi	MTAP	0.0229	0.1331	0.1331
Mycobacterium tuberculosis	Hypothetical protein	0.0229	0.1331	0.1331
Echinococcus granulosus	thioredoxin glutathione reductase	0.0272	0.1759	0.1759
Toxoplasma gondii	phosphorylase family protein	0.0229	0.1331	0.7568
Brugia malayi	uridine phosphorylase family protein	0.0229	0.1331	0.1331
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0229	0.1331	0.1331
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1106	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0145	0.0505	0.0505
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0877	0.7736	0.7736
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0094	0	0.5
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0229	0.1331	0.7568
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.1106	1	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.1106	1	1
Toxoplasma gondii	phosphorylase family protein	0.0229	0.1331	0.7568
Loa Loa (eye worm)	thioredoxin reductase	0.0272	0.1759	0.1734
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0877	0.7736	0.7736
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0145	0.0505	0.0505
Chlamydia trachomatis	AMP nucleosidase	0.0229	0.1331	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0094	0	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Loa Loa (eye worm)	uridine phosphorylase	0.0229	0.1331	0.1143
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.1331
Echinococcus granulosus	peroxidasin	0.0145	0.0505	0.0505
Leishmania major	nucleoside phosphorylase-like protein	0.0229	0.1331	0.7568
Schistosoma mansoni	peroxidasin	0.0145	0.0505	0.0505
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0229	0.1331	0.1331
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0229	0.1331	0.1331
Plasmodium falciparum	purine nucleoside phosphorylase	0.0229	0.1331	0.7568
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.1106	1	1
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0229	0.1331	0.1331
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.1331
Echinococcus granulosus	purine nucleoside phosphorylase	0.1106	1	1
Treponema pallidum	pfs protein (pfs)	0.0229	0.1331	1
Schistosoma mansoni	uridine phosphorylase	0.0229	0.1331	0.1331
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0229	0.1331	0.1331
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0229	0.1331	0.7568
Trichomonas vaginalis	conserved hypothetical protein	0.0229	0.1331	0.1331
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.1331
Trypanosoma brucei	trypanothione reductase	0.0272	0.1759	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1106	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0145	0.0505	0.0505
Brugia malayi	Animal haem peroxidase family protein	0.0145	0.0505	0.0505
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1106	1	1
Schistosoma mansoni	uridine phosphorylase	0.0229	0.1331	0.1331
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0229	0.1331	0.7568
Entamoeba histolytica	hypothetical protein	0.0229	0.1331	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1106	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.1106	1	1
Schistosoma mansoni	peroxidasin	0.0145	0.0505	0.0505
Leishmania major	trypanothione reductase	0.0272	0.1759	1
Toxoplasma gondii	thioredoxin reductase	0.0272	0.1759	1
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0229	0.1331	0.5
Plasmodium falciparum	thioredoxin reductase	0.0272	0.1759	1
Brugia malayi	Animal haem peroxidase family protein	0.0145	0.0505	0.0505
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.5
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0229	0.1331	0.1331
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0229	0.1331	0.7568
Giardia lamblia	UPL-1	0.0229	0.1331	0.1331
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.5
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0229	0.1331	0.1331
Echinococcus multilocularis	uridine phosphorylase 1	0.0229	0.1331	0.1331
Loa Loa (eye worm)	glutathione reductase	0.0272	0.1759	0.1734
Brugia malayi	Peroxidasin	0.0145	0.0505	0.0505
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.1331
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0272	0.1759	0.1759
Mycobacterium leprae	probable uridine phosphorylase	0.0229	0.1331	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0877	0.7736	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.1331
Brugia malayi	Blistered cuticle protein 3	0.0145	0.0505	0.0505
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0272	0.1759	0.1759
Treponema pallidum	uridine phosphorylase (udp)	0.0229	0.1331	1
Plasmodium vivax	thioredoxin reductase, putative	0.0272	0.1759	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.5
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0229	0.1331	0.7568
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0877	0.7736	0.7736
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1106	1	1
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0229	0.1331	0.7568
Brugia malayi	hypothetical protein	0.0145	0.0505	0.0505

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 100 uM	In vitro inhibition of lipopolysaccharide stimulated tumor necrosis factor-alpha production in rat whole blood	ChEMBL.	12039573

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 61517