TDR Targets

Basic information

Technical information

TDR Targets ID: 49729
Name: 5-bromo-1-(1,3-dihydroxypropan-2-yloxymethyl) pyrimidine-2,4-dione
MW: 295.087 | Formula: C8H11BrN2O5
H donors: 3 H acceptors: 4 LogP: -1.24 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OCC(OCn1cc(Br)c(=O)[nH]c1=O)CO
InChi: 1S/C8H11BrN2O5/c9-6-1-11(8(15)10-7(6)14)4-16-5(2-12)3-13/h1,5,12-13H,2-4H2,(H,10,14,15)
InChiKey: HQTODZNKCYGDNT-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

5-bromo-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione
5-bromo-1-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrimidine-2,4-quinone
2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
AIDS-211685
AIDS211685

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
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0003	0.0156
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0007	0.0003	0.5
Brugia malayi	multidrug resistance related protein 1	0.0007	0.0003	0.0156
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0185	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0185	1
Schistosoma mansoni	multidrug resistance protein	0.0021	0.0185	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0185	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0185	1
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0003	0.0156
Trypanosoma brucei	multidrug resistance protein E	0.0007	0.0003	0.5
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0817	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.0185	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0007	0.0003	1
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0007	0.0003	0.0156
Echinococcus granulosus	multidrug resistance associated protein 1	0.0007	0.0003	0.0156
Entamoeba histolytica	P-glycoprotein-1	0.0021	0.0185	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0007	0.0003	0.0156
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0185	1
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.0185	1
Trichomonas vaginalis	abcb9, putative	0.0021	0.0185	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0003	0.0156
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0021	0.0185	0.5
Brugia malayi	ABC transporter family protein	0.0007	0.0003	0.0156
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0007	0.0003	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0185	1
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0185	1
Echinococcus granulosus	multidrug resistance associated protein 7	0.0007	0.0003	0.0156
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Brugia malayi	ABC transporter	0.0007	0.0003	0.0156
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0003	0.0156
Loa Loa (eye worm)	ABC transporter	0.0007	0.0003	0.0156
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0185	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0003	0.0156
Trichomonas vaginalis	abcb9, putative	0.0021	0.0185	1
Echinococcus granulosus	multidrug resistance protein 1	0.0015	0.0105	0.5674
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0007	0.0003	0.0156
Echinococcus multilocularis	multidrug resistance protein 1	0.0015	0.0105	0.5606
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0007	0.0003	0.0156
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.0185	1
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.0185	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0021	0.0185	1
Entamoeba histolytica	P-glycoprotein-2	0.0021	0.0185	1
Schistosoma mansoni	multidrug resistance protein	0.0021	0.0185	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.0185	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.0185	1
Brugia malayi	ABC transporter family protein	0.0007	0.0003	0.0156
Entamoeba histolytica	P-glycoprotein 6, putative	0.0007	0.0003	0.0156
Brugia malayi	multidrug resistance protein 3	0.0021	0.0185	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0185	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0003	0.0156
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0185	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0185	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0015	0.0105	0.5674
Entamoeba histolytica	P-glycoprotein-5	0.0021	0.0185	1
Trichomonas vaginalis	taga, putative	0.0021	0.0185	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0003	0.0156
Trypanosoma brucei	p-glycoprotein	0.0007	0.0003	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0003	0.0156
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0007	0.0003	0.5
Leishmania major	p-glycoprotein	0.0021	0.0185	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0007	0.0003	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0185	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.0185	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0021	0.0185	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.0007	0.0003	0.0156
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0021	0.0185	0.0182
Giardia lamblia	MRP-like ABC transporter	0.0007	0.0003	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0003	0.0156
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.0185	1
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.0185	1
Entamoeba histolytica	hypothetical protein	0.0007	0.0003	0.0156
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0185	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0021	0.0185	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0007	0.0003	0.0156
Loa Loa (eye worm)	multidrug resistance protein 3	0.0021	0.0185	1
Entamoeba histolytica	multidrug resistance protein, putative	0.0007	0.0003	0.0156
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Entamoeba histolytica	ABC transporter, putative	0.0007	0.0003	0.0156
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.0185	1
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0007	0.0003	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.0185	1
Mycobacterium ulcerans	proteasome PrcA	0.0817	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0007	0.0003	1
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0003	0.0156
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.0185	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0021	0.0185	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0021	0.0185	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0021	0.0185	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.0185	1
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0003	0.0156
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.0185	1
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0003	0.0156
Plasmodium vivax	multidrug resistance protein 1, putative	0.0021	0.0185	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.0185	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0007	0.0003	0.0156
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0021	0.0182	0.9841
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0007	0.0003	0.5
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0007	0.0003	0.5
Giardia lamblia	ABC transporter, putative	0.0007	0.0003	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0185	1
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.0185	1
Echinococcus granulosus	multidrug resistance protein 1	0.0015	0.0105	0.5674
Loa Loa (eye worm)	ABC transporter	0.0007	0.0003	0.0156
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0007	0.0003	0.0156
Echinococcus granulosus	ATP binding cassette sub family B	0.0007	0.0003	0.0156
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0007	0.0003	0.5
Brugia malayi	P-glycoprotein-like protein	0.0007	0.0003	0.0156
Plasmodium falciparum	multidrug resistance protein 1	0.0021	0.0185	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0021	0.0185	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0021	0.0185	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0007	0.0003	0.5
Schistosoma mansoni	smdr1	0.0007	0.0003	0.0156
Trichomonas vaginalis	abcb9, putative	0.0021	0.0185	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.0185	1
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0007	0.0003	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0021	0.0185	1
Loa Loa (eye worm)	ABC transporter	0.0007	0.0003	0.0156
Entamoeba histolytica	P-glycoprotein-2	0.0021	0.0185	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0182	0.9844
Onchocerca volvulus		0.0021	0.0185	0.5
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0007	0.0003	0.5
Brugia malayi	ABC transporter family protein	0.0007	0.0003	0.0156
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.0185	1
Schistosoma mansoni	multidrug resistance protein	0.0021	0.0185	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0021	0.0182	0.9844
Schistosoma mansoni	smdr2	0.0021	0.0185	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.0185	1
Brugia malayi	hypothetical protein	0.0007	0.0003	0.0156
Brugia malayi	ABC transporter family protein	0.0021	0.0185	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0 cell/control value/ACV	Inhibition of epstein barr virus(EBV) by nucleic acid hybridization assay in human lung fibroblast cell line; 33/610/35	ChEMBL.	2826784
CC50 (functional)	> 338 uM	Cytotoxicity against human HepG2 cell line	ChEMBL.	16759112
CC50 (functional)	> 338 uM	Cytotoxicity against Vero cell line	ChEMBL.	16759112
CC50 (functional)	> 338 uM	Cytotoxicity against human HepG2 cell line	ChEMBL.	16759112
EC50 (functional)	> 33.8 uM	Antiviral activity against duck HBV in primary duck hepatocytes	ChEMBL.	16759112
EC50 (functional)	> 33.8 uM	Antiviral activity against wild type HBV in human hepatoma 2.2.15 cells	ChEMBL.	16759112
IC50 (functional)	> 100 uM	Inhibition of growth of varicella zoster virus(VZV) by plaque reduction assay in vero cell line	ChEMBL.	2826784
IC50 (functional)	> 100 uM	Inhibition of growth of human cytomegalovirus (HCMV) was determined by plaque reduction assay in human lung fibroblast cell line	ChEMBL.	2826784
ID50 (functional)	> 100 uM	Antiviral activity was determined in plaque reduction assay in vero cells against HSV-1 F strain	ChEMBL.	3871860
Inhibition (functional)	0	Antiviral activity against HBV M204I mutant transfected in B1 cell line at 10 ug/mL	ChEMBL.	16759112
Inhibition (functional)	0	Antiviral activity against HBV L180M/M204V mutant transfected in D88 cell line at 10 ug/mL	ChEMBL.	16759112
Inhibition (functional)	= 40 %	Antiviral activity against wild type HBV in human hepatoma 2.2.15 cells at 10 ug/mL	ChEMBL.	16759112
Inhibition (functional)	= 48 %	Antiviral activity against duck HBV in primary duck hepatocytes at 10 ug/mL	ChEMBL.	16759112

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: CHEMBL37840
PubChem: 3010094

Bibliographic References

3 literature references were 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 49729