TDR Targets

Basic information

Technical information

TDR Targets ID: 306652
Name: 7-(5-methyl-2,4-dioxopyrimidin-1-yl)heptylpho sphonic acid
MW: 304.279 | Formula: C12H21N2O5P
H donors: 3 H acceptors: 5 LogP: -0.27 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cn(CCCCCCCP(=O)(O)O)c(=O)[nH]c1=O
InChi: 1S/C12H21N2O5P/c1-10-9-14(12(16)13-11(10)15)7-5-3-2-4-6-8-20(17,18)19/h9H,2-8H2,1H3,(H,13,15,16)(H2,17,18,19)
InChiKey: QIFYPUZLUKPFTI-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

7-(5-methyl-2,4-dioxo-pyrimidin-1-yl)heptylphosphonic acid
7-(5-methyl-2,4-dioxo-1-pyrimidinyl)heptylphosphonic acid
7-(2,4-diketo-5-methyl-pyrimidin-1-yl)heptylphosphonic acid

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
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	1.1115	1	1
Schistosoma mansoni	hypothetical protein	0.0182	0.0134	0.0138
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.0098	0.0059	0.0059
Brugia malayi	Dihydrofolate reductase	0.0874	0.0759	0.0783
Onchocerca volvulus	Ribonuclease H1 homolog	0.0048	0.0014	0.0013
Schistosoma mansoni	alpha-glucosidase	0.0137	0.0093	0.0096
Echinococcus multilocularis	muscleblind protein 1	0.0173	0.0126	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.5129	0.4598	1
Wolbachia endosymbiont of Brugia malayi	phosphoribosylamine--glycine ligase	0.0166	0.0119	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0001	0.0001
Echinococcus multilocularis	transcription factor btf3	0.004	0.0007	0.0006
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0018	0.0018
Brugia malayi	dihydrofolate reductase family protein	0.0874	0.0759	0.0783
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	1.1115	1	1
Schistosoma mansoni	folylpolyglutamate synthase	0.0098	0.0059	0.006
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.0098	0.0059	0.0057
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.0098	0.0059	0.0057
Brugia malayi	RNase H family protein	0.0048	0.0014	0.0014
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0002	0.0002
Echinococcus multilocularis	muscleblind protein	0.0173	0.0126	0.0129
Leishmania major	folylpolyglutamate synthetase	0.0098	0.0059	0.0057
Onchocerca volvulus		1.0781	0.9698	1
Leishmania major	ribonuclease H1, putative	0.0048	0.0014	0.0012
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.0098	0.0059	0.0057
Brugia malayi	hypothetical protein	0.5129	0.4598	0.4741
Plasmodium vivax	basic transcription factor 3b, putative	0.004	0.0007	0.0005
Loa Loa (eye worm)	dihydrofolate reductase	0.0874	0.0759	0.0783
Toxoplasma gondii	ribonuclease HI protein	0.0048	0.0014	0.0013
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0053	0.0017	0.0016
Mycobacterium tuberculosis	Hypothetical protein	0.5129	0.4598	0.4739
Loa Loa (eye worm)	FolC protein	0.0098	0.0059	0.006
Brugia malayi	thymidylate synthase	1.0781	0.9698	1
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.0098	0.0059	0.0052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0018	0.0018
Trypanosoma cruzi	folylpolyglutamate synthetase	0.0098	0.0059	0.0057
Echinococcus multilocularis	ribonuclease H1	0.0048	0.0014	0.0013
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0001	0.0001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0018	0.0018
Schistosoma mansoni	microtubule-associated protein tau	0.1471	0.1297	0.1338
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0874	0.0759	0.078
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0002	0.0002
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0014	0.0014
Toxoplasma gondii	NAC domain-containing protein	0.004	0.0007	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0007	0.001
Schistosoma mansoni	phosphoglucomutase	0.0048	0.0014	0.0014
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.0113	0.0116
Brugia malayi	Muscleblind-like protein	0.0173	0.0126	0.013
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0014	0.0014
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT	0.0166	0.0119	0.012
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.5129	0.4598	0.4597
Trypanosoma cruzi	transcription factor btf3, putative	0.004	0.0007	0.0005
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.0113	0.0117
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.0098	0.0059	0.0057
Onchocerca volvulus		0.0037	0.0003	0.0002
Echinococcus granulosus	thymidylate synthase	1.0781	0.9698	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1728	0.153	0.1576
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0007	0.001
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	1.1115	1	1
Echinococcus multilocularis	dihydrofolate reductase	0.0874	0.0759	0.0782
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0874	0.0759	0.078
Onchocerca volvulus		0.0274	0.0217	0.0223
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.0113	0.0116
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0002	0.0001
Brugia malayi	RNase H family protein	0.0048	0.0014	0.0014
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0098	0.0059	0.0059
Brugia malayi	beta-NAC-like protein	0.004	0.0007	0.0007
Loa Loa (eye worm)	thymidylate synthase	1.0781	0.9698	1
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0098	0.0059	0.0057
Trypanosoma brucei	hypothetical protein, conserved	0.0053	0.0017	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0001	0.0001
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.0113	0.0117
Echinococcus multilocularis	microtubule associated protein 2	0.1471	0.1297	0.1336
Trypanosoma brucei	RNA helicase, putative	0.0182	0.0134	0.0132
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	1.0781	0.9698	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0048	0.0014	0.0012
Schistosoma mansoni	alpha-glucosidase	0.0137	0.0093	0.0096
Schistosoma mansoni	transcription factor btf3	0.004	0.0007	0.0007
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	1.1115	1	1
Trichomonas vaginalis	ribonuclease H1, putative	0.0048	0.0014	0.0026
Trypanosoma brucei	transcription factor BTF3, putative	0.004	0.0007	0.0005
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.0113	0.0117
Loa Loa (eye worm)	ICD-1 protein	0.004	0.0007	0.0007
Schistosoma mansoni	alpha glucosidase	0.0035	0.0002	0.0002
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0241	0.0187	0.0193
Schistosoma mansoni	phosphoglucomutase	0.0048	0.0014	0.0014
Brugia malayi	RNase H family protein	0.0048	0.0014	0.0014
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0018	0.0018
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0007	0.001
Trypanosoma cruzi	ribonuclease H1, putative	0.0048	0.0014	0.0012
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0018	0.0018
Echinococcus granulosus	muscleblind protein	0.0173	0.0126	0.013
Echinococcus multilocularis	thymidylate synthase	1.0781	0.9698	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	1.1115	1	1
Onchocerca volvulus		0.0092	0.0053	0.0053
Chlamydia trachomatis	dihydrofolate reductase	0.0874	0.0759	0.5
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0874	0.0759	0.078
Mycobacterium ulcerans	thymidylate synthase	1.0781	0.9698	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0014	0.0014
Trypanosoma brucei	unspecified product	0.0053	0.0017	0.0016
Entamoeba histolytica	transcription factor BTF3, putative	0.004	0.0007	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0018	0.0017
Echinococcus granulosus	dihydrofolate reductase	0.0874	0.0759	0.0783
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0001	0.0001
Trypanosoma brucei	ingi protein (ORF1)	0.0053	0.0017	0.0016
Entamoeba histolytica	hypothetical protein	0.004	0.0007	1
Treponema pallidum	folylpolyglutamate synthetase (folC)	0.0098	0.0059	1
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0048	0.0014	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0126	0.013
Trichomonas vaginalis	set domain proteins, putative	0.0274	0.0217	0.0469
Echinococcus granulosus	ribonuclease H1	0.0048	0.0014	0.0014
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0001	0.0001
Trypanosoma brucei	ribonuclease H1	0.0048	0.0014	0.0012
Echinococcus granulosus	microtubule associated protein 2	0.1471	0.1297	0.1337
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.0098	0.0059	0.006
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0002	0.0002
Mycobacterium ulcerans	phosphoribosylamine--glycine ligase	0.0166	0.0119	0.012
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.0098	0.0059	0.0057
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	1.0781	0.9698	1
Trypanosoma cruzi	transcription factor btf3, putative	0.004	0.0007	0.0005
Brugia malayi	Pre-SET motif family protein	0.0241	0.0187	0.0193
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0002	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0126	0.013
Brugia malayi	Pre-SET motif family protein	0.0035	0.0001	0.0001
Brugia malayi	FolC bifunctional protein	0.0098	0.0059	0.006
Schistosoma mansoni	dihydrofolate reductase	0.0874	0.0759	0.0783
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.0098	0.0059	0.006
Leishmania major	basic transcription factor 3a, putative	0.004	0.0007	0.0005
Giardia lamblia	Ribonuclease H	0.0048	0.0014	0.5
Trypanosoma brucei	ingi protein (ORF1)	0.0053	0.0017	0.0016
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0098	0.0059	0.0059
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	1.0781	0.9698	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0018	0.0017
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0098	0.0059	0.0123
Schistosoma mansoni	phosphoglucomutase	0.0048	0.0014	0.0014
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0018	0.0018
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0018	0.0018
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0001	0.0001
Echinococcus granulosus	transcription factor btf3	0.004	0.0007	0.0007
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.0098	0.0059	0.0057

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 8 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 100 microM after 60 minutes	ChEMBL.	10715161
Inhibition (binding)	= 8 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 100 microM after 60 minutes	ChEMBL.	10715161
Inhibition (binding)	= 13 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 100 microM after 40 minutes	ChEMBL.	10715161
Inhibition (binding)	= 13 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 100 microM after 40 minutes	ChEMBL.	10715161
Inhibition (binding)	= 17 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 100 microM after 20 minutes	ChEMBL.	10715161
Inhibition (binding)	= 17 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 100 microM after 20 minutes	ChEMBL.	10715161
Inhibition (binding)	= 55 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 1000 microM after 60 minutes	ChEMBL.	10715161
Inhibition (binding)	= 55 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 1000 microM after 60 minutes	ChEMBL.	10715161
Inhibition (binding)	= 63 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 1000 microM after 40 minutes	ChEMBL.	10715161
Inhibition (binding)	= 63 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 1000 microM after 40 minutes	ChEMBL.	10715161
Inhibition (binding)	= 73 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 1000 microM after 20 minutes	ChEMBL.	10715161
Inhibition (binding)	= 73 %	Inhibition of E. coli Thymidine Phosphorylase at a concentration of 1000 microM after 20 minutes	ChEMBL.	10715161

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: CHEMBL176439
PubChem: 10663547

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 306652