TDR Targets

Basic information

Technical information

TDR Targets ID: 794344
Name: ethyl 4-[3-[3-(4-ethylpiperazin-1-yl)propylam ino]-2,5-dioxopyrrolidin-1-yl]benzoate
MW: 416.514 | Formula: C22H32N4O4
H donors: 1 H acceptors: 3 LogP: 1.2 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)NCCCN1CCN(CC1)CC
InChi: 1S/C22H32N4O4/c1-3-24-12-14-25(15-13-24)11-5-10-23-19-16-20(27)26(21(19)28)18-8-6-17(7-9-18)22(29)30-4-2/h6-9,19,23H,3-5,10-16H2,1-2H3
InChiKey: SBTAXOZHZVWWOS-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

ethyl 4-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-2,5-dioxo-pyrrolidin-1-yl]benzoate
4-[3-[3-(4-ethyl-1-piperazinyl)propylamino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
4-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-2,5-diketo-pyrrolidin-1-yl]benzoic acid ethyl ester
A2909/0122628

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
Echinococcus multilocularis	vesicular acetylcholine transporter	0.153	0.5976	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0024	0.0024
Echinococcus granulosus	microtubule associated protein 2	0.07	0.2695	0.4419
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0128	0.0104
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0308	0.8205
Schistosoma mansoni	hypothetical protein	0.0041	0.0092	0.0046
Trypanosoma brucei	C-8 sterol isomerase, putative	0.2548	1	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.0308	0.8325
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0128	0.0104
Loa Loa (eye worm)	hypothetical protein	0.005	0.0128	0.0128
Schistosoma mansoni	neuropeptide receptor	0.0163	0.0575	0.0863
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0098	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0024	0.0024
Schistosoma mansoni	hypothetical protein	0.0041	0.0092	0.0046
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.0365	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.0308	0.0356
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0112	0.0024
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0065	0.0041
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0308	0.8205
Echinococcus granulosus	Niemann Pick C1 protein	0.0143	0.0493	0.0672
Brugia malayi	6-phosphofructokinase	0.011	0.0365	0.0342
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.0365	1
Echinococcus multilocularis	neuropeptide receptor	0.0163	0.0575	0.0811
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.01	0.0324	0.8795
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.0365	0.0059
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.0365	0.0059
Brugia malayi	phosphofructokinase	0.011	0.0365	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0065	0.0065
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0823	0.318	0.5243
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0024	0.0659
Loa Loa (eye worm)	hypothetical protein	0.2548	1	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.2548	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.0308	0.0356
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0116	0.2193
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0308	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0098
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0047	1
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0047	1
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.011	0.0365	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0112	0.0112
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.0047	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0024	0.0659
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.0047	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0308	0.8205
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0112	0.0024
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0024	0.0659
Echinococcus multilocularis	geminin	0.0164	0.0578	0.0815
Toxoplasma gondii	phosphofructokinase PFKII	0.003	0.0047	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0308	0.8205
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.0308	0.0284
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.003	0.0047	0.5
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0122	0.0041
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0128	0.0128
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0047	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.0308	0.0284
Toxoplasma gondii	6-phosphofructokinase	0.003	0.0047	0.5
Echinococcus multilocularis	6 phosphofructokinase	0.011	0.0365	0.0453
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0112	0.008
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.0365	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0092	0.0046
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.0308	0.041
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0308	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0024	0.0024
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.153	0.5976	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0112	0.008
Onchocerca volvulus	Huntingtin homolog	0.0124	0.0418	0.0663
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.0365	0.0365
Leishmania major	ATP-dependent phosphofructokinase	0.011	0.0365	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0418	0.0418
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0047	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0024	0.0659
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0112	0.0089
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0365	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0024	0.0659
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.011	0.0365	1
Schistosoma mansoni	6-phosphofructokinase	0.011	0.0365	0.0507
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.0308	0.0308
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.003	0.0047	0.0666
Echinococcus granulosus	expressed conserved protein	0.0094	0.03	0.0343
Leishmania major	C-8 sterol isomerase-like protein	0.2548	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0024	0.0659
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0116	0.2193
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0418	0.0418
Echinococcus granulosus	vesicular acetylcholine transporter	0.153	0.5976	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0112	0.0024
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.0308	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0136	0.0136
Echinococcus granulosus	Niemann Pick C1 protein	0.01	0.0324	0.0383
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0024	0.0659
Echinococcus multilocularis	microtubule associated protein 2	0.07	0.2695	0.4419
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.011	0.0365	1
Schistosoma mansoni	patched 1	0.0043	0.0098	0.0056
Schistosoma mansoni	microtubule-associated protein tau	0.07	0.2695	0.445
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0024	0.0659
Echinococcus multilocularis	Niemann Pick C1 protein	0.0143	0.0493	0.0672
Schistosoma mansoni	hypothetical protein	0.0164	0.0578	0.0867
Giardia lamblia	Kinase, PLK	0.0096	0.0308	1
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0365	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0112	0.0024
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0308	0.8205
Onchocerca volvulus	Huntingtin homolog	0.0124	0.0418	0.0663
Schistosoma mansoni	hypothetical protein	0.0164	0.0578	0.0867
Echinococcus granulosus	geminin	0.0164	0.0578	0.0815
Echinococcus multilocularis	G protein coupled receptor 139	0.0163	0.0575	0.0811
Loa Loa (eye worm)	hypothetical protein	0.01	0.0324	0.0324
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0365	1
Echinococcus granulosus	neuropeptide receptor	0.0163	0.0575	0.0811
Echinococcus granulosus	6 phosphofructokinase	0.011	0.0365	0.0453
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0112	0.008
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.153	0.5976	0.5976
Schistosoma mansoni	hypothetical protein	0.0041	0.0092	0.0046
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0098	0.0098
Brugia malayi	6-phosphofructokinase	0.011	0.0365	0.0342
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.0365	0.0365
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0024	0.0659
Loa Loa (eye worm)	phosphofructokinase	0.011	0.0365	0.0365
Echinococcus multilocularis	Niemann Pick C1 protein	0.01	0.0324	0.0383
Loa Loa (eye worm)	hypothetical protein	0.1302	0.5076	0.5076
Schistosoma mansoni	kinase	0.0049	0.0121	0.0095
Schistosoma mansoni	6-phosphofructokinase	0.011	0.0365	0.0507
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0365	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.01	0.0324	0.03
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0024	0.0659
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.033	0.0448
Brugia malayi	vesicular acetylcholine transporter unc-17	0.153	0.5976	0.5966
Echinococcus multilocularis	expressed conserved protein	0.0094	0.03	0.0343
Brugia malayi	hypothetical protein	0.0124	0.0418	0.0395
Schistosoma mansoni	vesicular acetylcholine transporter	0.153	0.5976	1
Brugia malayi	CHE-14 protein	0.0043	0.0098	0.0075
Mycobacterium ulcerans	6-phosphofructokinase	0.011	0.0365	1

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 794344