TDR Targets

Basic information

Technical information

TDR Targets ID: 420117
Name: 1-[(Z)-[2-fluoro-2-(hydroxymethyl)cyclopropyl idene]methyl]-5-methylpyrimidine-2,4-dione
MW: 226.204 | Formula: C10H11FN2O3
H donors: 2 H acceptors: 3 LogP: -1.09 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cn(/C=C\2/CC2(F)CO)c(=O)[nH]c1=O
InChi: 1S/C10H11FN2O3/c1-6-3-13(9(16)12-8(6)15)4-7-2-10(7,11)5-14/h3-4,14H,2,5H2,1H3,(H,12,15,16)/b7-4-
InChiKey: OYRBYBVEHLIDQD-DAXSKMNVSA-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

1-[(Z)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methyl-pyrimidine-2,4-dione
1-[(Z)-(2-fluoro-2-methylol-cyclopropylidene)methyl]-5-methyl-pyrimidine-2,4-quinone

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	hypothetical protein	0.0181	0.1997	0.3795
Echinococcus multilocularis	neuropilin (nrp) and tolloid (tll)	0.0181	0.1997	0.3707
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0305	0.5261	0.9768
Echinococcus granulosus	cubilin	0.0181	0.1997	0.3707
Echinococcus multilocularis	cubilin	0.0181	0.1997	0.3707
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0119	0.0383	0.0727
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Loa Loa (eye worm)	CUB domain-containing protein	0.0181	0.1997	0.1997
Brugia malayi	CUB domain containing protein	0.0181	0.1997	0.3707
Loa Loa (eye worm)	CUB domain-containing protein	0.0181	0.1997	0.1997
Schistosoma mansoni	discoidin domain receptor	0.0305	0.5261	1
Schistosoma mansoni	dock	0.0305	0.5261	1
Plasmodium vivax	LCCL domain-containing protein	0.0305	0.5261	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0181	0.1997	0.3707
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Schistosoma mansoni	btb and poz domain-containing protein	0.0305	0.5261	1
Loa Loa (eye worm)	hypothetical protein	0.0305	0.5261	0.5261
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0254	0.3918	0.5
Schistosoma mansoni	neuropilin (nrp) and tolloid (tll)-like	0.0181	0.1997	0.3795
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0305	0.5261	0.5
Brugia malayi	Nematode astacin protease protein 30	0.0181	0.1997	0.3707
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0305	0.5261	0.9768
Brugia malayi	Zinc metalloproteinase toh-2 precursor	0.0181	0.1997	0.3707
Onchocerca volvulus		0.0271	0.4361	0.724
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0181	0.1997	0.1997
Schistosoma mansoni	hypothetical protein	0.0181	0.1997	0.3795
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0181	0.1997	0.3795
Schistosoma mansoni	hypothetical protein	0.0181	0.1997	0.3795
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Brugia malayi	astacin protease protein 30	0.0181	0.1997	0.3707
Echinococcus granulosus	Coagulation factor 5 8 type C terminal	0.0305	0.5261	0.9768
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Schistosoma mansoni	discoidin domain receptor	0.0305	0.5261	1
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Brugia malayi	CUB domain containing protein	0.0181	0.1997	0.3707
Schistosoma mansoni	hypothetical protein	0.0181	0.1997	0.3795
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0125	0.0528	0.098
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Echinococcus granulosus	discoidin domain containing receptor 2	0.0305	0.5261	0.9768
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0254	0.3918	0.7446
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Loa Loa (eye worm)	lectin C-type domain-containing protein	0.0181	0.1997	0.1997
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0136	0.0814	0.1511
Brugia malayi	Nematode astacin protease protein 30	0.0181	0.1997	0.3707
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0119	0.0383	0.0727
Toxoplasma gondii	PA14 domain-containing protein	0.0305	0.5261	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Echinococcus multilocularis	CUB	0.0181	0.1997	0.3707
Loa Loa (eye worm)	hypothetical protein	0.0254	0.3918	0.3918
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Schistosoma mansoni	alpha-glucosidase	0.0271	0.4361	0.8288
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0254	0.3918	0.7274
Mycobacterium tuberculosis	Possible arabinofuranosyltransferase AftD	0.0305	0.5261	0.5
Schistosoma mansoni	alpha-glucosidase	0.0271	0.4361	0.8288
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Brugia malayi	Lectin C-type domain containing protein	0.0181	0.1997	0.3707
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0119	0.0383	0.0727
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0254	0.3918	0.7274
Echinococcus granulosus	discoidin domain containing receptor 2	0.0305	0.5261	0.9768
Echinococcus multilocularis	nuclear receptor 2C2 associated protein	0.0305	0.5261	0.9768
Brugia malayi	Protein kinase domain containing protein	0.0305	0.5261	0.9768
Brugia malayi	Kelch motif family protein	0.0181	0.1997	0.3707
Brugia malayi	zinc metalloproteinase toh-2 precursor	0.0181	0.1997	0.3707
Mycobacterium leprae	PROBABLE CONSERVED TRANSMEMBRANE PROTEIN	0.0305	0.5261	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0181	0.1997	0.3795
Brugia malayi	CUB domain containing protein	0.0181	0.1997	0.3707
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0305	0.5261	0.5
Brugia malayi	CUB domain containing protein	0.0181	0.1997	0.3707
Brugia malayi	Glycosyl hydrolases family 31 protein	0.031	0.5386	1
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0181	0.1997	0.1997
Loa Loa (eye worm)	DPY-31 protein	0.0181	0.1997	0.1997
Onchocerca volvulus		0.0305	0.5261	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0254	0.3918	1
Plasmodium falciparum	LCCL domain-containing protein	0.0305	0.5261	0.5
Plasmodium vivax	LCCL domain-containing protein	0.0305	0.5261	0.5
Trichomonas vaginalis	hypothetical protein	0.0305	0.5261	1
Schistosoma mansoni	hypothetical protein	0.0181	0.1997	0.3795
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0305	0.5261	0.9768
Echinococcus granulosus	discoidin domain receptor	0.0305	0.5261	0.9768
Echinococcus granulosus	Tolloid protein 1	0.0181	0.1997	0.3707
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0254	0.3918	0.5
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0305	0.5261	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Brugia malayi	Suppressor of lurcher protein 1 precursor	0.0181	0.1997	0.3707
Echinococcus granulosus	neuropilin nrp and tolloid tll	0.0181	0.1997	0.3707
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0136	0.0814	0.1547
Echinococcus multilocularis	lysosomal alpha glucosidase	0.031	0.5386	1
Echinococcus multilocularis	discoidin domain receptor	0.0305	0.5261	0.9768
Echinococcus multilocularis	Tolloid protein 1	0.0181	0.1997	0.3707
Plasmodium falciparum	LCCL domain-containing protein	0.0305	0.5261	0.5
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0305	0.5261	1
Echinococcus multilocularis	Coagulation factor 5 8 type, C terminal	0.0305	0.5261	0.9768
Echinococcus granulosus	discoidin domain containing receptor 2	0.0305	0.5261	0.9768
Schistosoma mansoni	hypothetical protein	0.0305	0.5261	1
Echinococcus granulosus	CUB	0.0181	0.1997	0.3707
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Loa Loa (eye worm)	hypothetical protein	0.0305	0.5261	0.5261
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0254	0.3918	0.7274
Brugia malayi	CUB domain containing protein	0.0181	0.1997	0.3707
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0119	0.0383	0.5
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0305	0.5261	1
Echinococcus granulosus	cubilin	0.0181	0.1997	0.3707
Trichomonas vaginalis	conserved hypothetical protein	0.0305	0.5261	1
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0254	0.3918	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.031	0.5386	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.031	0.5386	1
Schistosoma mansoni	septate junction protein	0.0305	0.5261	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0181	0.1997	0.3795
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.031	0.5386	0.5386
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0254	0.3918	1
Brugia malayi	hypothetical protein	0.0181	0.1997	0.3707
Echinococcus multilocularis	cubilin	0.0181	0.1997	0.3707
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1997	0.1997
Loa Loa (eye worm)	zinc metalloproteinase toh-2	0.0181	0.1997	0.1997
Onchocerca volvulus		0.0305	0.5261	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0305	0.5261	1
Schistosoma mansoni	neuropilin (nrp) and tolloid (tll)-like	0.0181	0.1997	0.3795
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0181	0.1997	0.3795

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	> 100 uM	Cytotoxicity against HFF cells by visual cytotoxicty	ChEMBL.	15615545
CC50 (ADMET)	> 100 uM	Cytotoxicity against BSC1 cells	ChEMBL.	15615545
CC50 (functional)	> 100 uM	Cytotoxicity against CEM cells	ChEMBL.	15615545
CC50 (ADMET)	> 100 uM	Cytotoxicity against MT2 cells	ChEMBL.	15615545
CC50 (ADMET)	> 100 uM	Cytotoxicity against Vero cells	ChEMBL.	15615545
CC50 (ADMET)	> 100 uM	Cytotoxicity against HFF cells by visual cytotoxicty	ChEMBL.	15615545
CC50 (functional)	> 100 uM	Cytotoxicity against CEM cells	ChEMBL.	15615545
CC50 (ADMET)	> 100 uM	Cytotoxicity against MT2 cells	ChEMBL.	15615545
CC50 (ADMET)	> 221 uM	Cytotoxicity against Daudi cells	ChEMBL.	15615545
CC50 (ADMET)	> 221 uM	Cytotoxicity against Daudi cells	ChEMBL.	15615545
CC50 (ADMET)	> 400 uM	Cytotoxicity against HFF cells	ChEMBL.	15615545
CC50 (ADMET)	> 400 uM	Cytotoxicity against HFF cells	ChEMBL.	15615545
CC50 (ADMET)	> 442 uM	Cytotoxicity against HFF cells by neutral red uptake assay	ChEMBL.	15615545
CC50 (ADMET)	> 442 uM	Cytotoxicity against HFF cells by neutral red uptake assay	ChEMBL.	15615545
EC50 (functional)	= 0.62 uM	Inhibition of VZV replication in HFF cells by CPE assay	ChEMBL.	15615545
EC50 (functional)	= 2.5 uM	Inhibition of HSV1 replication in BSC1 cells by ELISA	ChEMBL.	15615545
EC50 (functional)	= 2.5 uM	Inhibition of EBV replication in H1 cells by DNA hybridization assay	ChEMBL.	15615545
EC50 (functional)	= 4.4 uM	Inhibition of EBV replication in Daudi cells by DNA hybridization assay	ChEMBL.	15615545
EC50 (functional)	> 20 uM	Inhibition of HBV replication in 2.2.15 cells by DNA hybridization assay	ChEMBL.	15615545
EC50 (functional)	> 50 uM	Inhibition of HSV1 in Vero cells by plaque reduction assay	ChEMBL.	15615545
EC50 (ADMET)	> 50 uM	Inhibition of HSV2 in Vero cells by plaque reduction assay	ChEMBL.	15615545
EC50 (functional)	= 51.7 uM	Inhibition of EBV replication in Daudi cells by VCA ELISA	ChEMBL.	15615545
EC50 (functional)	> 80 uM	Inhibition of HSV1 in HFF cells by CPE assay	ChEMBL.	15615545
EC50 (functional)	> 80 uM	Inhibition of HSV2 in HFF cells by CPE assay	ChEMBL.	15615545
EC50 (functional)	> 100 uM	Inhibition of HCMV Towne replication in HFF cells by plaque reduction assay	ChEMBL.	15615545
EC50 (functional)	> 100 uM	Inhibition of HIV1 LAI replication in MT2 by CPE assay	ChEMBL.	15615545
EC50 (functional)	> 442 uM	Inhibition of HCMV AD169 replication in HFF cells by CPE inhibition assay	ChEMBL.	15615545

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: CHEMBL376591
PubChem: 11253110

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 420117