TDR Targets

Basic information

Technical information

TDR Targets ID: 676386
Name: (5E)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methy lidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6- trione
MW: 392.405 | Formula: C22H20N2O5
H donors: 1 H acceptors: 3 LogP: 3.22 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C=CCOc1ccc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1
InChi: 1S/C22H20N2O5/c1-3-11-29-18-10-9-16(13-19(18)28-2)12-17-20(25)23-22(27)24(21(17)26)14-15-7-5-4-6-8-15/h3-10,12-13H,1,11,14H2,2H3,(H,23,25,27)/b17-12+
InChiKey: VBZCDTXMYLWFOB-SFQUDFHCSA-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

(5E)-5-[(4-allyloxy-3-methoxy-phenyl)methylene]-1-(phenylmethyl)hexahydropyrimidine-2,4,6-trione
(5E)-5-[(4-allyloxy-3-methoxyphenyl)methylene]-1-(phenylmethyl)hexahydropyrimidine-2,4,6-trione
(5E)-5-(4-allyloxy-3-methoxy-benzylidene)-1-(benzyl)barbituric acid
(5E)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
ZINC03005035

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	0.0097	0.0502	0.059
Echinococcus granulosus	lysosomal alpha glucosidase	0.0162	0.0908	0.0916
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0162	0.0908	0.0802
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0037	0.0277
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0037	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0037	0.0044
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0136	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0136	0.5
Onchocerca volvulus		0.0231	0.1347	1
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0136	0.0023
Echinococcus granulosus	para nitrobenzyl esterase	0.0231	0.1347	0.1422
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0153	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0212	0.0249
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.0502	0.0548
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0231	0.1347	1
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.136	0.1437
Echinococcus granulosus	microtubule associated protein 2	0.1409	0.8769	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0136	0.016
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0136	0.0023
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0136	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0037	0.0044
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0037	0.0277
Brugia malayi	Inositol-1	0.0039	0.0136	0.0116
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0136	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0231	0.1347	0.1422
Brugia malayi	hypothetical protein	0.0233	0.136	0.1561
Onchocerca volvulus		0.0231	0.1347	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1347	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0037	0.0044
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0136	0.2116
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0136	1
Onchocerca volvulus		0.0231	0.1347	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0136	0.002
Onchocerca volvulus		0.0048	0.019	0.1164
Echinococcus multilocularis	protein patched	0.0042	0.0153	0.0037
Schistosoma mansoni	BC026374 protein (S09 family)	0.0231	0.1347	0.1422
Brugia malayi	Carboxylesterase family protein	0.0231	0.1347	0.1545
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0037	0.0277
Entamoeba histolytica	hypothetical protein	0.0071	0.0338	0.6483
Loa Loa (eye worm)	hypothetical protein	0.1368	0.8512	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.0502	0.0446
Echinococcus multilocularis	carboxylesterase 5A	0.1368	0.8512	0.8494
Loa Loa (eye worm)	carboxylesterase	0.1368	0.8512	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0231	0.1347	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.0502	0.039
Schistosoma mansoni	hypothetical protein	0.004	0.0143	0.0031
Echinococcus granulosus	BC026374 protein S09 family	0.0231	0.1347	0.1422
Trichomonas vaginalis	spcc417.12 protein, putative	0.0231	0.1347	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.011	1
Echinococcus multilocularis	microtubule associated protein 2	0.1409	0.8769	0.8755
Schistosoma mansoni	alpha-glucosidase	0.0139	0.0767	0.0752
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.0764	0.0749
Brugia malayi	Carboxylesterase family protein	0.0231	0.1347	0.1545
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0153	0.0297
Schistosoma mansoni	hypothetical protein	0.004	0.0143	0.0031
Echinococcus multilocularis	acetylcholinesterase	0.1368	0.8512	0.8494
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1347	0.1582
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0136	0.016
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0	0.5
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0116	0.0093
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.011	0.0815
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0231	0.1347	0.1245
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0338	0.0225
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0338	0.0257
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0162	0.0908	0.0802
Brugia malayi	hypothetical protein	0.0231	0.1347	0.1545
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0116	0.1693
Schistosoma mansoni	hypothetical protein	0.0071	0.0338	0.0257
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0136	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1347	0.1582
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0116	0.8002
Onchocerca volvulus		0.0231	0.1347	1
Loa Loa (eye worm)	hypothetical protein	0.1368	0.8512	1
Echinococcus granulosus	acetylcholinesterase	0.1368	0.8512	0.9703
Loa Loa (eye worm)	hypothetical protein	0.0233	0.136	0.1597
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0231	0.1347	0.1245
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0037	0.0277
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0231	0.1347	0.1422
Loa Loa (eye worm)	carboxylesterase	0.0231	0.1347	0.1582
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0116	0.1693
Brugia malayi	Carboxylesterase family protein	0.1368	0.8512	1
Schistosoma mansoni	survival motor neuron protein	0.0048	0.019	0.0085
Echinococcus multilocularis	protein dispatched 1	0.0048	0.019	0.0075
Brugia malayi	Carboxylesterase family protein	0.1368	0.8512	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1347	0.1582
Loa Loa (eye worm)	acetylcholinesterase 1	0.1368	0.8512	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0162	0.0908	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1347	0.1582
Schistosoma mansoni	patched 1	0.0042	0.0153	0.0042
Schistosoma mansoni	alpha-glucosidase	0.0139	0.0767	0.0752
Loa Loa (eye worm)	carboxylesterase	0.0231	0.1347	0.1582
Entamoeba histolytica	hypothetical protein	0.0071	0.0338	0.6483
Onchocerca volvulus		0.0093	0.0479	0.3374
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0153	0.0179
Brugia malayi	Carboxylesterase family protein	0.0231	0.1347	0.1545
Brugia malayi	Carboxylesterase family protein	0.0231	0.1347	0.1545
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0153	0.0042
Entamoeba histolytica	hypothetical protein	0.0071	0.0338	0.6483
Echinococcus multilocularis	neuroligin	0.0231	0.1347	0.1245
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0153	0.0179
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0465	0.0353
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0037	0.0277
Mycobacterium ulcerans	carboxylesterase, LipT	0.0231	0.1347	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0116	0.0136
Brugia malayi	hypothetical protein	0.0071	0.0338	0.0355
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0162	0.0908	0.1067
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0136	1
Brugia malayi	CHE-14 protein	0.0042	0.0153	0.0136
Echinococcus granulosus	expressed conserved protein	0.0091	0.0465	0.0403
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0037	0.0277
Schistosoma mansoni	hypothetical protein	0.004	0.0143	0.0031
Loa Loa (eye worm)	inositol-1	0.0039	0.0136	0.0159
Entamoeba histolytica	hypothetical protein	0.0071	0.0338	0.6483
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.019	0.018
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.136	0.1258
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0037	0.0277
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0153	0.0037
Echinococcus granulosus	acetylcholinesterase	0.1368	0.8512	0.9703
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0037	0.0277
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.0764	0.0656
Onchocerca volvulus		0.0231	0.1347	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0231	0.1347	1
Schistosoma mansoni	hypothetical protein	0.0048	0.019	0.0085
Schistosoma mansoni	microtubule-associated protein tau	0.1409	0.8769	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0231	0.1347	1
Echinococcus granulosus	carboxylesterase 5A	0.1368	0.8512	0.9703
Echinococcus granulosus	neuroligin	0.0231	0.1347	0.1422
Schistosoma mansoni	gliotactin	0.0231	0.1347	0.1422
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1368	0.8512	0.9703
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.0502	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0511	0.0457
Schistosoma mansoni	acetylcholinesterase	0.0231	0.1347	0.1422
Echinococcus multilocularis	para nitrobenzyl esterase	0.0231	0.1347	0.1245
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0037	0.0277
Echinococcus multilocularis	acetylcholinesterase	0.1368	0.8512	0.8494
Schistosoma mansoni	hypothetical protein	0.004	0.0143	0.0031
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0136	0.016
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0338	0.0257
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0231	0.1347	0.1422
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1347	0.1582
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0136	0.1007
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0231	0.1347	0.1422
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0231	0.1347	0.1422
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1347	0.1582

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 676386