TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 498.614 | Formula: C25H26N2O5S2
H donors: 2 H acceptors: 6 LogP: 3.6 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCCCCN1C(=O)C2C(C1=O)C1CC2C2C1C(c1ccccc1)c1c(S2)nc(s1)O
InChi: 1S/C25H26N2O5S2/c28-15(29)9-5-2-6-10-27-23(30)18-13-11-14(19(18)24(27)31)20-17(13)16(12-7-3-1-4-8-12)21-22(33-20)26-25(32)34-21/h1,3-4,7-8,13-14,16-20H,2,5-6,9-11H2,(H,26,32)(H,28,29)
InChiKey: FVOVJCMDSUYMEV-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
Schistosoma mansoni	methylthioadenosine phosphorylase	0.1976	0.3088	0.3088
Plasmodium falciparum	purine nucleoside phosphorylase	0.4695	0.8006	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.5798	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.4695	0.8006	0.8006
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.4695	0.8006	1
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.4695	0.8006	1
Toxoplasma gondii	phosphorylase family protein	0.1746	0.2673	0.3339
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.1746	0.2673	0.8656
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.5798	1	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.1746	0.2673	0.8656
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.4052	0.6843	0.6843
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.1746	0.2673	0.2673
Schistosoma mansoni	methylthioadenosine phosphorylase	0.1746	0.2673	0.2673
Trypanosoma brucei	uridine phosphorylase	0.1746	0.2673	0.8656
Schistosoma mansoni	uridine phosphorylase	0.1746	0.2673	0.2673
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.1746	0.2673	0.2673
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus granulosus	methylthioadenosine phosphorylase	0.1976	0.3088	0.3088
Echinococcus multilocularis	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.4052	0.6843	0.6843
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.1746	0.2673	0.2673
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.4695	0.8006	0.8006
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus multilocularis	uridine phosphorylase 1	0.1746	0.2673	0.2673
Echinococcus multilocularis	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.4052	0.6843	0.6843
Giardia lamblia	UPL-1	0.1746	0.2673	0.2673
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.1746	0.2673	0.2673
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.5798	1	1
Leishmania major	nucleoside phosphorylase-like protein	0.1746	0.2673	0.8656
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.4695	0.8006	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus granulosus	uridine phosphorylase 1	0.1746	0.2673	0.2673
Loa Loa (eye worm)	hypothetical protein	0.4052	0.6843	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Toxoplasma gondii	Purine nucleoside phosphorylase	0.4695	0.8006	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.1746	0.2673	0.8656
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.5798	1	1
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.1976	0.3088	0.0996
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.5798	1	1
Leishmania major	methylthioadenosine phosphorylase, putative	0.1976	0.3088	1
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.1746	0.2673	0.2673
Schistosoma mansoni	methylthioadenosine phosphorylase	0.1976	0.3088	0.3088
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.1976	0.3088	1
Brugia malayi	MTAP	0.1976	0.3088	0.3088
Brugia malayi	uridine phosphorylase family protein	0.1746	0.2673	0.2673
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.1976	0.3088	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.5798	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.5798	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.1746	0.2673	0.2673
Schistosoma mansoni	purine nucleoside phosphorylase	0.5798	1	1
Treponema pallidum	uridine phosphorylase (udp)	0.4695	0.8006	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.5798	1	1
Schistosoma mansoni	uridine phosphorylase	0.1746	0.2673	0.2673
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.5798	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.1746	0.2673	0.2673
Chlamydia trachomatis	AMP nucleosidase	0.1746	0.2673	0.5
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.1746	0.2673	0.2673
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.1976	0.3088	1
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.1976	0.3088	0.3088
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.1746	0.2673	0.2673
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.4695	0.8006	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.1746	0.2673	0.2673
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.1976	0.3088	0.3088
Echinococcus multilocularis	purine nucleoside phosphorylase	0.5798	1	1
Toxoplasma gondii	phosphorylase family protein	0.1746	0.2673	0.3339

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 833897