TDR Targets

Basic information

Technical information

TDR Targets ID: 504520
Name: 4-[4-[[5-(2-ethoxyethyl)-2,4,6-trioxo-1,3-dia zinan-5-yl]oxy]phenoxy]benzamide
MW: 427.407 | Formula: C21H21N3O7
H donors: 3 H acceptors: 4 LogP: 1.44 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)C(=O)N)C(=O)NC(=O)NC1=O
InChi: 1S/C21H21N3O7/c1-2-29-12-11-21(18(26)23-20(28)24-19(21)27)31-16-9-7-15(8-10-16)30-14-5-3-13(4-6-14)17(22)25/h3-10H,2,11-12H2,1H3,(H2,22,25)(H2,23,24,26,27,28)
InChiKey: WBCJYTQOPPAPOU-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

4-[4-[5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyrimidin-5-yl]oxyphenoxy]benzamide
4-[4-[[5-(2-ethoxyethyl)-2,4,6-trioxo-5-hexahydropyrimidinyl]oxy]phenoxy]benzamide
4-[4-[5-(2-ethoxyethyl)-2,4,6-triketo-hexahydropyrimidin-5-yl]oxyphenoxy]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	matrix metallopeptidase 14 (membrane-inserted)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129064	All targets in OG5_129064
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	Get druggable targets OG5_129064	All targets in OG5_129064
Schistosoma japonicum	IPR002477,Peptidoglycan-binding domain 1;IPR009070,Peptidoglycan binding-like,domain-containing	Get druggable targets OG5_129064	All targets in OG5_129064
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	Get druggable targets OG5_129064	All targets in OG5_129064
Loa Loa (eye worm)	matrixin family protein	Get druggable targets OG5_129064	All targets in OG5_129064
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	Get druggable targets OG5_129064	All targets in OG5_129064
Onchocerca volvulus	Matrilysin homolog	Get druggable targets OG5_129064	All targets in OG5_129064
Schistosoma japonicum	ko:K07996 matrix metalloproteinase-16 (membrane-inserted), putative	Get druggable targets OG5_129064	All targets in OG5_129064
Brugia malayi	Matrixin family protein	Get druggable targets OG5_129064	All targets in OG5_129064

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)	matrixin family protein	0.0138	0.336	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0215	0.0215
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0215	0.057
Echinococcus granulosus	Smad4	0.0008	0.0025	0.0025
Echinococcus multilocularis	transcription factor eb	0.0105	0.2508	0.2508
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.2793	0.8301
Loa Loa (eye worm)	hypothetical protein	0.0026	0.048	0.1366
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0961	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2594	0.7703
Brugia malayi	Matrixin family protein	0.0021	0.0363	0.1013
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0044	0.0056
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0215	0.0215
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1063	0.3113
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0961	0.0961
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0025	0.0025
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1063	0.3113
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0025	0.0025
Brugia malayi	Matrixin family protein	0.0021	0.0363	0.1013
Loa Loa (eye worm)	matrixin family protein	0.0047	0.1021	0.2986
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0025	0.0025
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0363	0.1013
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0026	0.048	0.1366
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0537	0.1536
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Echinococcus multilocularis	cpg binding protein	0.0029	0.0578	0.0578
Echinococcus granulosus	geminin	0.0164	0.4039	0.4039
Brugia malayi	Matrixin family protein	0.0138	0.336	1
Schistosoma mansoni	hypothetical protein	0.0164	0.4039	0.4039
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0961	0.0961
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0961	0.2806
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1063	0.3113
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0138	0.3375	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0215	0.057
Treponema pallidum	fructose-bisphosphate aldolase	0.0283	0.7095	0.5
Echinococcus multilocularis	smad	0.0008	0.0025	0.0025
Onchocerca volvulus		0.0028	0.0537	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1063	0.3113
Schistosoma mansoni	cpg binding protein	0.0029	0.0578	0.0578
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0041	0.0048
Onchocerca volvulus		0.003	0.0588	0.0781
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0961	0.0961
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0215	0.0215
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0363	0.1013
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0025	0.0025
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0537	0.1536
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0108	0.2594	0.2594
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0215	0.057
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2495	0.7407
Echinococcus granulosus	transcription factor eb	0.0105	0.2508	0.2508
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0104	0.2495	0.7407
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.067	0.1936
Schistosoma mansoni	hypothetical protein	0.0397	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0138	0.3375	1
Echinococcus multilocularis	dnaJ subfamily B	0.0397	1	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Brugia malayi	Matrixin family protein	0.0021	0.0363	0.1013
Schistosoma mansoni	hypothetical protein	0.003	0.0588	0.0588
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0105	0.2508	0.7447
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0138	0.3375	1
Echinococcus granulosus	cpg binding protein	0.0029	0.0578	0.0578
Echinococcus multilocularis	geminin	0.0164	0.4039	0.4039
Echinococcus granulosus	smad	0.0008	0.0025	0.0025
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Echinococcus multilocularis	Smad4	0.0008	0.0025	0.0025
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0164	0.4018	0.4018
Brugia malayi	Hemopexin family protein	0.003	0.0588	0.169
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.1176	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0025	0.0025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0961	0.0961
Onchocerca volvulus	Matrilysin homolog	0.0134	0.3252	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0025	0.0025
Giardia lamblia	Fructose-bisphosphate aldolase	0.0283	0.7095	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0961	0.2806
Schistosoma mansoni	hypothetical protein	0.0164	0.4039	0.4039
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0961	0.0961
Loa Loa (eye worm)	matrix metalloproteinase	0.0021	0.0363	0.1013
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0215	0.0215
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0047	0.1021	0.2277
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0164	0.4018	0.4018
Schistosoma mansoni	cpg binding protein	0.0029	0.0578	0.0578
Schistosoma mansoni	cpg binding protein	0.0028	0.0537	0.0537
Schistosoma mansoni	smad	0.0008	0.0025	0.0025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0961	0.0961
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Brugia malayi	Matrixin family protein	0.0021	0.0363	0.1013
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0215	0.057
Schistosoma mansoni	Smad4	0.0008	0.0025	0.0025
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.7095	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.1338	0.1338
Brugia malayi	MH2 domain containing protein	0.0116	0.2793	0.8301
Schistosoma mansoni	hypothetical protein	0.0033	0.067	0.067
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0033	0.067	0.1936
Echinococcus granulosus	GPCR family 2	0.0015	0.0215	0.0215
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.2793	0.8301

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.21	Inhibition of MMP14 (unknown origin)	ChEMBL.	17275314
log(1/IC50) (binding)	= 6.21	Inhibition of MMP14 (unknown origin)	ChEMBL.	17275314

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

PubChem: 20636126

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 504520