TDR Targets

Basic information

Technical information

TDR Targets ID: 681441
Name: N'-[(4-chlorophenyl)methyl]-N-[2-(4-methylphe nyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
MW: 428.955 | Formula: C23H29ClN4O2
H donors: 2 H acceptors: 2 LogP: 3.12 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)C(c1ccc(cc1)C)CNC(=O)C(=O)NCc1ccc(cc1)Cl
InChi: 1S/C23H29ClN4O2/c1-17-3-7-19(8-4-17)21(28-13-11-27(2)12-14-28)16-26-23(30)22(29)25-15-18-5-9-20(24)10-6-18/h3-10,21H,11-16H2,1-2H3,(H,25,29)(H,26,30)
InChiKey: YXBLYUIRVHPFNV-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

N'-[(4-chlorophenyl)methyl]-N-[2-(4-methylphenyl)-2-(4-methyl-1-piperazinyl)ethyl]oxamide
N'-(4-chlorobenzyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
N'-[(4-chlorophenyl)methyl]-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]ethanediamide

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
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0458	0.6485	1
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0.0133	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0403	0.0819
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0161	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0316	0.4415	0.8694
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0847	0.2505
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.0847	0.1205
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0323	0.062
Loa Loa (eye worm)	hypothetical protein	0.0081	0.098	0.1929
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.034	0.0669
Brugia malayi	MH1 domain containing protein	0.0025	0.0161	0.0316
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0133	0.009
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0194	0.2628	0.5174
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0847	0.1668
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0268	0.0302
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.0161	0.0111
Onchocerca volvulus		0.0072	0.0847	0.2123
Brugia malayi	MH2 domain containing protein	0.0025	0.0161	0.0316
Brugia malayi	beta-lactamase family protein	0.0072	0.0847	0.1668
Brugia malayi	RNA recognition motif domain containing protein	0.0194	0.2628	0.5174
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0133	0.0144
Onchocerca volvulus		0.0072	0.0847	0.2123
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0847	0.1668
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0294	0.4083	1
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0133	0.0144
Echinococcus multilocularis	Smad4	0.0025	0.0161	0.0111
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0224	0.0175
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0323	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0051	0.01
Leishmania major	hypothetical protein, conserved	0.0072	0.0847	0.1928
Leishmania major	DNA polymerase eta, putative	0.0044	0.0436	0.0901
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0403	0.0819
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0847	0.1928
Loa Loa (eye worm)	RNA binding protein	0.0194	0.2628	0.5174
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0847	0.1928
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0403	0.0819
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.0847	0.1205
Toxoplasma gondii	ABC1 family protein	0.0072	0.0847	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.098	0.1929
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0323	0.0274
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0075	0.0147
Brugia malayi	Smad1	0.0025	0.0161	0.0316
Brugia malayi	Muscleblind-like protein	0.0316	0.4415	0.8694
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0075	0.0024
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.0847	0.1205
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0294	0.4083	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0847	0.2505
Schistosoma mansoni	Smad4	0.0025	0.0161	0.0111
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0224	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0436	0.0858
Loa Loa (eye worm)	hypothetical protein	0.0316	0.4415	0.8694
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0224	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1294	0.2548
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0075	0.0147
Echinococcus multilocularis	tar DNA binding protein	0.0194	0.2628	0.259
Loa Loa (eye worm)	TAR-binding protein	0.0194	0.2628	0.5174
Schistosoma mansoni	microtubule-associated protein tau	0.0698	0.9981	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0847	0.1668
Echinococcus granulosus	dna polymerase eta	0.0044	0.0436	0.0387
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0847	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0051	0.01
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.2752	0.5418
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0161	0.0316
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.0847	0.1205
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0224	0.0175
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0224	0.0175
Toxoplasma gondii	hypothetical protein	0.0047	0.0492	0.5024
Brugia malayi	Pre-SET motif family protein	0.0202	0.2752	0.5418
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0323	1
Loa Loa (eye worm)	Smad1	0.0025	0.0161	0.0316
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0589	0.116
Entamoeba histolytica	hypothetical protein	0.0023	0.0133	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0037	0.034	0.0669
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0847	0.3899
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0161	0.0111
Echinococcus multilocularis	tumor protein p63	0.07	1	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.0268	0.1899
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0323	0.0274
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0847	0.3899
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0323	0.0274
Echinococcus granulosus	microtubule associated protein 2	0.0698	0.9981	0.9981
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0847	0.2505
Echinococcus multilocularis	muscleblind protein 1	0.0316	0.4415	0.4387
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0294	0.4083	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0139	0.1827	0.4373
Mycobacterium ulcerans	lipase LipD	0.0072	0.0847	0.3899
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0847	0.1668
Echinococcus granulosus	Smad4	0.0025	0.0161	0.0111
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0847	0.0801
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0323	0.062
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0075	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0847	0.1668
Plasmodium vivax	SET domain protein, putative	0.0029	0.0224	0.1283
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0051	0.01
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0323	0.062
Onchocerca volvulus		0.023	0.3159	1
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0436	0.0388
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.0847	0.1205
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0323	0.2664
Onchocerca volvulus		0.0081	0.098	0.2574
Schistosoma mansoni	cellular tumor antigen P53	0.0102	0.1294	0.1252
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0323	0.1253
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0847	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0323	1
Brugia malayi	TAR-binding protein	0.0194	0.2628	0.5174
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0436	0.0901
Trichomonas vaginalis	esterase, putative	0.0072	0.0847	0.2505
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0847	0.1205
Brugia malayi	MH2 domain containing protein	0.0025	0.0161	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0589	0.116
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2628	0.2595
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0075	0.0024
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0.0133	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0847	0.1668
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0589	0.116
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0847	0.1668
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0403	0.0819
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0847	0.2505
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0224	0.1283
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0247	0.043
Echinococcus multilocularis	muscleblind protein	0.0316	0.4415	0.4387
Echinococcus multilocularis	microtubule associated protein 2	0.0698	0.9981	0.9981
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0847	0.0801
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.0847	0.1205
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0161	0.0111
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0075	0.0024
Loa Loa (eye worm)	MH2 domain-containing protein	0.0362	0.5079	1
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0023	0.0133	0.0292
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0209	0.0159
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0161	0.0111
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0075	0.0024
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.2056	0.3091
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0847	0.1205
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0075	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.0847	0.1205
Echinococcus granulosus	tar DNA binding protein	0.0194	0.2628	0.259
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0161	0.0316
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2628	0.2595
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0323	0.0274
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0589	0.116
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0323	0.0805
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0161	0.0111
Mycobacterium ulcerans	hypothetical protein	0.0155	0.2056	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0051	0.01
Echinococcus granulosus	muscleblind protein	0.0316	0.4415	0.4387
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0224	0.0175
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0224	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0847	0.1668
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0847	0.2505
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.098	0.0936
Schistosoma mansoni	smad	0.0025	0.0161	0.0111
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0847	0.3899
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.098	0.0934
Trichomonas vaginalis	set domain proteins, putative	0.023	0.3159	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0535	0.1148
Leishmania major	DNA polymerase eta, putative	0.0031	0.0247	0.043
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0847	0.1205
Echinococcus multilocularis	smad	0.0025	0.0161	0.0111
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0847	0.0802
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0133	0.5
Onchocerca volvulus		0.0072	0.0847	0.2123
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0075	0.0024
Schistosoma mansoni	hypothetical protein	0.0037	0.034	0.0291
Leishmania major	mitochondrial DNA polymerase beta	0.0294	0.4083	1
Echinococcus granulosus	smad	0.0025	0.0161	0.0111
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2628	0.2595
Brugia malayi	Pre-SET motif family protein	0.0029	0.0224	0.0442
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2628	0.2595
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0847	0.1928
Loa Loa (eye worm)	inositol-1	0.0036	0.0323	0.0636
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0161	0.0111
Brugia malayi	RNA binding protein	0.0194	0.2628	0.5174
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0847	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0362	0.5079	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0847	0.3899
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0323	0.062
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.1827	0.4373
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2628	0.2595
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0847	0.0802
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0436	0.0387
Brugia malayi	MH2 domain containing protein	0.0362	0.5079	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0224	0.0442
Brugia malayi	MH1 domain containing protein	0.0025	0.0161	0.0316
Brugia malayi	beta-lactamase	0.0072	0.0847	0.1668
Brugia malayi	beta-lactamase family protein	0.0072	0.0847	0.1668
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0247	0.1603
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0436	0.0901
Onchocerca volvulus		0.0102	0.1294	0.3644
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0323	0.0805
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0436	0.0858
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0023	0.0133	0.0292
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0161	0.0111
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.1827	0.4373
Brugia malayi	Inositol-1	0.0036	0.0323	0.0636
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.098	0.0934
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0847	0.1668

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 681441