TDR Targets

Basic information

Technical information

TDR Targets ID: 676763
Name: 4-[(5E)-5-[[2-[(4-fluorophenyl)methoxy]phenyl ]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl] benzoic acid
MW: 460.411 | Formula: C25H17FN2O6
H donors: 2 H acceptors: 5 LogP: 3.79 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O
InChi: 1S/C25H17FN2O6/c26-18-9-5-15(6-10-18)14-34-21-4-2-1-3-17(21)13-20-22(29)27-25(33)28(23(20)30)19-11-7-16(8-12-19)24(31)32/h1-13H,14H2,(H,31,32)(H,27,29,33)/b20-13+
InChiKey: ILHDOYQHYOYQNO-DEDYPNTBSA-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

4-[(5E)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylene]-2,4,6-trioxo-hexahydropyrimidin-1-yl]benzoic acid
4-[(5E)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylene]-2,4,6-trioxo-1-hexahydropyrimidinyl]benzoic acid
4-[(5E)-5-[2-(4-fluorobenzyl)oxybenzylidene]-2,4,6-triketo-hexahydropyrimidin-1-yl]benzoic 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
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0964	0.1228
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0961	0.1312
Schistosoma mansoni	zinc finger protein	0.0019	0.0199	0.0277
Brugia malayi	beta-lactamase family protein	0.0035	0.0964	0.1228
Brugia malayi	PHD-finger family protein	0.0024	0.0448	0.0555
Plasmodium vivax	glutathione reductase, putative	0.0046	0.149	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0022	0.0031
Loa Loa (eye worm)	glutathione reductase	0.0046	0.149	0.1913
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0051	0.5
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0964	0.0918
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0964	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0964	0.1228
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0082	0.0083
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0051	0.034
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0964	0.0918
Echinococcus multilocularis	zinc finger protein	0.0019	0.0199	0.0247
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Echinococcus granulosus	zinc finger protein	0.0019	0.0199	0.0247
Schistosoma mansoni	hypothetical protein	0.0015	0.0022	0.0031
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0964	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0875	0.1111
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.4871	1
Treponema pallidum	NADH oxidase	0.0016	0.0051	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.149	0.205
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.4871	0.4845
Echinococcus granulosus	geminin	0.0166	0.7179	1
Brugia malayi	Bromodomain containing protein	0.0037	0.1071	0.1367
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0964	0.6473
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0337	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1274	0.1631
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0964	0.1228
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0337	0.047
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0964	0.0918
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0964	0.1228
Loa Loa (eye worm)	hypothetical protein	0.004	0.1185	0.1515
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0964	0.0918
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0964	0.1343
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.4871	0.4845
Leishmania major	trypanothione reductase	0.0046	0.149	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0964	0.1228
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0964	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.4311	0.8565
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0051	0.0071
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.2068	0.2858
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.0051	0.034
Toxoplasma gondii	ABC1 family protein	0.0035	0.0964	0.6349
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0082	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1074	0.1372
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0051	0.004
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0964	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1609	0.2068
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1609	0.2068
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0964	0.0918
Brugia malayi	beta-lactamase	0.0035	0.0964	0.1228
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.4311	0.4282
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0248	0.0295
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.4311	0.4282
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0051	0.034
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0964	0.1316
Mycobacterium ulcerans	lipase LipD	0.0035	0.0964	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0022	0.0031
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0964	0.0918
Trichomonas vaginalis	esterase, putative	0.0035	0.0964	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.7695	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0964	0.0918
Schistosoma mansoni	bromodomain containing protein	0.0062	0.2235	0.3113
Echinococcus multilocularis	geminin	0.0166	0.7179	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0964	0.1316
Brugia malayi	Bromodomain containing protein	0.0073	0.278	0.3595
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.149	0.1913
Brugia malayi	N-terminal motif family protein	0.0176	0.7695	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.0051	0.034
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0082	0.0114
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0964	0.0918
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.011	0.0115
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0051	0.034
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2581	0.3335
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0051	0.034
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0082	0.0114
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.149	0.1446
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Plasmodium falciparum	glutathione reductase	0.0046	0.149	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0964	0.1228
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0964	0.1228
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0964	0.0918
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0051	0.034
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0051	0.034
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0082	0.0083
Toxoplasma gondii	thioredoxin reductase	0.0046	0.149	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.0051	0.034
Schistosoma mansoni	hypothetical protein	0.002	0.0248	0.0346
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1609	0.2068
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0964	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0964	0.6473
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0964	0.1228
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0964	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0176	0.7695	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0051	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0875	0.1111
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0082	0.0083
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0964	1
Mycobacterium tuberculosis	Probable reductase	0.0105	0.4311	0.4282
Trypanosoma brucei	trypanothione reductase	0.0046	0.149	1
Plasmodium falciparum	thioredoxin reductase	0.0046	0.149	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0051	0.5
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0051	0.0037
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.0051	0.034
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0964	0.1228
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.0051	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0964	0.1228
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0964	0.6349
Leishmania major	hypothetical protein, conserved	0.0035	0.0964	0.6473
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0964	0.6473
Brugia malayi	glutathione reductase	0.0046	0.149	0.1913
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.4311	0.4282
Schistosoma mansoni	hypothetical protein	0.0166	0.7179	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.4311	0.4282
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0051	0.004
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.149	1
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.149	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0082	0.0114
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.149	0.205
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0337	0.0441
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0082	0.0114
Schistosoma mansoni	hypothetical protein	0.0033	0.0875	0.1218
Schistosoma mansoni	hypothetical protein	0.0166	0.7179	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0964	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0964	0.0918
Schistosoma mansoni	hypothetical protein	0.0015	0.0022	0.0031
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0961	0.1312
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0964	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.4311	0.4282
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0082	0.0083
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0964	0.1343
Brugia malayi	Thioredoxin reductase	0.0046	0.149	0.1913
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.4871	0.4845
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.2068	0.2858
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1609	0.2068

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 676763