TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.186 | Formula: C10H12N5Na2O5P
H donors: 1 H acceptors: 6 LogP: -1.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncnc2c1ncn2C1CCC(O1)COP(=O)([O-])[O-].[Na+].[Na+]
InChi: 1S/C10H14N5O5P.2Na/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18;;/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18);;/q;2*+1/p-2
InChiKey: JIWLVKTYWKWWLL-UHFFFAOYSA-L

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
Brugia malayi	Bloom's syndrome protein homolog	0.0017	0.108	0.1014
Schistosoma mansoni	dishevelled	0.0006	0.0218	0.0658
Leishmania major	hypothetical protein, conserved	0.0018	0.1149	1
Brugia malayi	hypothetical protein	0.0006	0.0218	0.0146
Entamoeba histolytica	recQ family helicase, putative	0.0009	0.0443	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0006	0.0218	0.0447
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0006	0.0218	0.0658
Brugia malayi	TAR-binding protein	0.0046	0.3322	0.3273
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.3322	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0018	0.1149	1
Brugia malayi	hypothetical protein	0.0006	0.0218	0.0146
Echinococcus multilocularis	segment polarity protein dishevelled	0.0006	0.0218	0.0447
Onchocerca volvulus		0.0006	0.0218	0.0146
Echinococcus granulosus	regulator of G protein signaling 7	0.0006	0.0218	0.0447
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0006	0.0218	0.0146
Echinococcus multilocularis	regulator of G protein signaling 7	0.0006	0.0218	0.0447
Toxoplasma gondii	LsmAD domain-containing protein	0.0018	0.1149	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0007	0.0277	0.2411
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0046	0.3322	0.3273
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0007	0.0277	0.0627
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0007	0.0277	0.0627
Schistosoma mansoni	dep domain containing protein	0.0006	0.0218	0.0658
Toxoplasma gondii	hypothetical protein	0.0006	0.0218	0.1902
Echinococcus granulosus	segment polarity protein dishevelled	0.0006	0.0218	0.0447
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0015	0.0914	0.7309
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0005	0.0073	0.022
Schistosoma mansoni	regulator of G protein signaling	0.0006	0.0218	0.0658
Echinococcus multilocularis	tar DNA binding protein	0.0046	0.3322	1
Brugia malayi	hypothetical protein	0.0012	0.064	0.0571
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0277	0.0205
Giardia lamblia	Sgs1 DNA helicase, putative	0.0007	0.0277	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0006	0.0218	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0006	0.0218	0.0447
Schistosoma mansoni	DNA helicase recq1	0.0007	0.0277	0.0833
Trypanosoma cruzi	PAB1-binding protein , putative	0.0018	0.1149	1
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.3322	1
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0005	0.0073	0.022
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0006	0.0218	0.0146
Brugia malayi	regulator of G-protein signaling egl-10	0.0006	0.0218	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Loa Loa (eye worm)	RecQ helicase	0.0017	0.108	0.1014
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0007	0.0277	0.0205
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0008	0.0356	0.0872
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0006	0.0218	0.0447
Brugia malayi	RNA recognition motif domain containing protein	0.0046	0.3322	0.3273
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.3322	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Trichomonas vaginalis	DNA helicase recq1, putative	0.0017	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0218	0.0146
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0626	0.5452
Echinococcus multilocularis	segment polarity protein dishevelled	0.0006	0.0218	0.0447
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0007	0.0277	0.2411
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0007	0.0277	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0087	0.6598	0.6573
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0046	0.3322	0.3273
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1149	0.1083
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0218	0.0146
Schistosoma mansoni	DNA helicase recq5	0.0007	0.0277	0.0833
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0009	0.0443	0.3439
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0005	0.0073	0.022
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0218	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.3322	1
Brugia malayi	RNA binding protein	0.0046	0.3322	0.3273
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0007	0.0277	0.0627
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0005	0.0073	0.022
Trichomonas vaginalis	DNA helicase recq, putative	0.0009	0.0443	0.3673
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.3322	1
Echinococcus multilocularis	bloom syndrome protein	0.0017	0.108	0.31
Brugia malayi	hypothetical protein	0.0018	0.1149	0.1083
Schistosoma mansoni	blooms syndrome DNA helicase	0.0014	0.0792	0.2385
Echinococcus granulosus	tar DNA binding protein	0.0046	0.3322	1
Schistosoma mansoni	hypothetical protein	0.0008	0.0356	0.1073
Schistosoma mansoni	dishevelled	0.0006	0.0218	0.0658
Echinococcus multilocularis	regulator of G protein signaling 7	0.0006	0.0218	0.0447
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0007	0.0277	0.0205
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Plasmodium vivax	ataxin-2 like protein, putative	0.0018	0.1149	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0006	0.0218	0.0146
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0004	0.0055	0.0167
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Brugia malayi	DIX domain containing protein	0.0006	0.0218	0.0146
Trypanosoma cruzi	PAB1-binding protein , putative	0.0018	0.1149	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0.0073	0.1651
Plasmodium falciparum	ataxin-2 like protein, putative	0.0018	0.1149	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0008	0.0356	0.0872
Schistosoma mansoni	ras GTP exchange factor	0.0005	0.0073	0.022
Loa Loa (eye worm)	RNA binding protein	0.0046	0.3322	0.3273
Trypanosoma brucei	PAB1-binding protein , putative	0.0018	0.1149	1
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0007	0.0277	0.0627
Echinococcus granulosus	regulator of G protein signaling 7	0.0006	0.0218	0.0447
Trichomonas vaginalis	DNA helicase recq, putative	0.0017	0.108	1
Echinococcus granulosus	bloom syndrome protein	0.0017	0.108	0.31
Entamoeba histolytica	hypothetical protein	0.0005	0.0073	0.1651
Schistosoma mansoni	z-protein (S1r protein)	0.0006	0.0218	0.0658
Loa Loa (eye worm)	DIX domain-containing protein	0.0006	0.0218	0.0146
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0131	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Cytotoxicity (functional)	= 0 %	Compound was evaluated for cytotoxicity by HIV cytopathic effect assay performed with ATH8 cells at a concentration of 100(microM)	ChEMBL.	3033243
Cytotoxicity (functional)	= 2 %	Compound was evaluated for cytotoxicity by HIV cytopathic effect assay performed with ATH8 cells at a concentration of 1(microM)	ChEMBL.	3033243
Cytotoxicity (functional)	= 4 %	Compound was evaluated for cytotoxicity by HIV cytopathic effect assay performed with ATH8 cells at a concentration of 50(microM)	ChEMBL.	3033243
Cytotoxicity (functional)	= 5 %	Compound was evaluated for cytotoxicity by HIV cytopathic effect assay performed with ATH8 cells at a concentration of 200(microM)	ChEMBL.	3033243
Cytotoxicity (functional)	= 6 %	Compound was evaluated for cytotoxicity by HIV cytopathic effect assay performed with ATH8 cells at a concentration of 10(microM)	ChEMBL.	3033243
Cytotoxicity (functional)	= 10 %	Compound was evaluated for cytotoxicity by HIV cytopathic effect assay performed with ATH8 cells at a concentration of 5(microM)	ChEMBL.	3033243
Protective effect (functional)	= 25 %	Compound was evaluated for the protective effect against HTLV-III/LAV (HIV) pathogenesis at a concentration of 1(microM)	ChEMBL.	3033243
Protective effect (functional)	= 83 %	Compound was evaluated for the protective effect against HTLV-III/LAV (HIV) pathogenesis at a concentration of 50(microM)	ChEMBL.	3033243
Protective effect (functional)	= 91 %	Compound was evaluated for the protective effect against HTLV-III/LAV (HIV) pathogenesis at a concentration of 5(microM)	ChEMBL.	3033243
Protective effect (functional)	= 100 %	Compound was evaluated for the protective effect against HTLV-III/LAV (HIV) pathogenesis at a concentration of 10(microM)	ChEMBL.	3033243
Protective effect (functional)	= 100 %	Compound was evaluated for the protective effect against HTLV-III/LAV (HIV) pathogenesis at a concentration of 100(microM)	ChEMBL.	3033243
Protective effect (functional)	= 100 %	Compound was evaluated for the protective effect against HTLV-III/LAV (HIV) pathogenesis at a concentration of 200(microM)	ChEMBL.	3033243

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 290775