TDR Targets

Basic information

Technical information

TDR Targets ID: 613450
Name: ethyl 4-[7-(3-methylphenyl)-5-phenylpyrrolo[3 ,2-e]pyrimidin-4-yl]piperazine-1-carboxylate
MW: 441.525 | Formula: C26H27N5O2
H donors: 0 H acceptors: 3 LogP: 4.76 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCN(CC1)c1ncnc2c1c(cn2c1cccc(c1)C)c1ccccc1
InChi: 1S/C26H27N5O2/c1-3-33-26(32)30-14-12-29(13-15-30)24-23-22(20-9-5-4-6-10-20)17-31(25(23)28-18-27-24)21-11-7-8-19(2)16-21/h4-11,16-18H,3,12-15H2,1-2H3
InChiKey: ZAMSRJZALUUYQH-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-[7-(3-methylphenyl)-5-phenyl-pyrrolo[3,2-e]pyrimidin-4-yl]piperazine-1-carboxylate
4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[3,2-e]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester
4-[7-(3-methylphenyl)-5-phenyl-pyrrolo[3,2-e]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester
Oprea1_263517
ChemDiv1_014449

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	0.0038	0.0104	0.0104
Mycobacterium leprae	Probable ionic transporter integral membrane protein ChaA	0.0036	0.0089	0.9397
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.025	0.1626	0.3182
Loa Loa (eye worm)	RNA binding protein	0.0127	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0089	0.0089
Onchocerca volvulus		0.0082	0.0417	0.0848
Plasmodium falciparum	cation/H+ antiporter	0.0036	0.0089	0.5
Treponema pallidum	hypothetical protein	0.0036	0.0089	0.5
Brugia malayi	Pre-SET motif family protein	0.0624	0.4301	1
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0095	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0095	0.0006
Toxoplasma gondii	ABC1 family protein	0.0037	0.0095	0.0149
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0095	0.0012
Mycobacterium ulcerans	lipase LipD	0.0037	0.0095	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0095	0.5
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0044	0.0146	0.0146
Schistosoma mansoni	intermediate filament proteins	0.0082	0.0417	0.0331
Onchocerca volvulus		0.0089	0.0474	0.0963
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0095	0.063
Brugia malayi	Sodium/calcium exchanger protein	0.0568	0.39	0.9068
Brugia malayi	beta-lactamase family protein	0.0037	0.0095	0.0221
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.0741	0.0658
Echinococcus granulosus	microtubule associated protein 2	0.0687	0.4749	0.4702
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0095	0.0012
Echinococcus multilocularis	musashi	0.0082	0.0417	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0095	0.0095
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.0675	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0568	0.39	0.39
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0082	0.0417	0.0417
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0095	0.0095
Onchocerca volvulus	Sodium\/potassium\/calcium exchanger	0.0036	0.0089	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0417	0.0417
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0089	0.0474	0.0388
Onchocerca volvulus		0.0082	0.0417	0.0848
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0095	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0095	0.063
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.0741	0.0658
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0095	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0095	0.0006
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0089	0.0474	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.025	0.1626	0.3182
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0095	0.063
Brugia malayi	Pre-SET motif family protein	0.0089	0.0474	0.1101
Brugia malayi	TAR-binding protein	0.0127	0.0741	0.1724
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.0741	0.0658
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0095	0.0006
Schistosoma mansoni	lamin	0.0082	0.0417	0.0331
Echinococcus multilocularis	sodium calcium exchanger	0.142	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.0741	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0095	0.0095
Echinococcus granulosus	lamin dm0	0.0082	0.0417	0.0331
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0095	0.0012
Schistosoma mansoni	microtubule-associated protein tau	0.0687	0.4749	0.4702
Onchocerca volvulus		0.071	0.4918	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0095	0.063
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0089	0.0474	0.0388
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0095	0.5
Onchocerca volvulus		0.0037	0.0095	0.0193
Echinococcus multilocularis	lamin dm0	0.0082	0.0417	0.0331
Trichomonas vaginalis	esterase, putative	0.0037	0.0095	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0089	0.0089
Echinococcus multilocularis	lamin	0.0082	0.0417	0.0331
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0095	0.0012
Mycobacterium tuberculosis	Probable ionic transporter integral membrane protein ChaA	0.0036	0.0089	0.0592
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0095	0.063
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0095	0.063
Brugia malayi	cytoplasmic intermediate filament protein	0.0044	0.0146	0.0339
Schistosoma mansoni	lamin	0.0082	0.0417	0.0331
Brugia malayi	RNA binding protein	0.0127	0.0741	0.1724
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.0741	0.0658
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0095	1
Entamoeba histolytica	sodium/calcium exchanger protein, putative	0.0036	0.0089	1
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.0741	0.0741
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0624	0.4301	0.4301
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.1509	1
Loa Loa (eye worm)	intermediate filament protein	0.0082	0.0417	0.0417
Loa Loa (eye worm)	solute carrier family 8	0.142	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0089	0.0474	0.0388
Leishmania major	hypothetical protein, conserved	0.0037	0.0095	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0095	0.063
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0086	0.045	0.0364
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0095	0.0221
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0089	0.0474	0.0388
Schistosoma mansoni	sodium/calcium exchanger	0.142	1	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0095	0.063
Brugia malayi	MH2 domain containing protein	0.0118	0.0675	0.157
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.0741	0.1724
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0095	0.063
Echinococcus granulosus	histone lysine methyltransferase setb	0.0089	0.0474	0.0388
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0095	0.0095
Brugia malayi	Intermediate filament tail domain containing protein	0.0082	0.0417	0.097
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.008	0.0406	0.0406
Brugia malayi	hypothetical protein	0.0304	0.201	0.4674
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0095	0.5
Onchocerca volvulus		0.0037	0.0095	0.0193
Echinococcus granulosus	lamin	0.0082	0.0417	0.0331
Brugia malayi	beta-lactamase family protein	0.0037	0.0095	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0095	0.0095
Brugia malayi	K+-dependent Na+/Ca+ exchanger related-protein	0.0036	0.0089	0.0208
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0095	0.0095
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0095	0.0006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0089	0.0474	0.0388
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0095	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0474	0.0474
Plasmodium vivax	SET domain protein, putative	0.0089	0.0474	1
Onchocerca volvulus		0.0304	0.201	0.4088
Brugia malayi	Na/Ca eXchangers family member (ncx-4)	0.0036	0.0089	0.0208
Trichomonas vaginalis	set domain proteins, putative	0.071	0.4918	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0039	0.0115	0.0026
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0039	0.0115	0.0026
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0095	0.0012
Echinococcus multilocularis	microtubule associated protein 2	0.0687	0.4749	0.4702
Brugia malayi	intermediate filament protein	0.0082	0.0417	0.097
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.0675	0.0675
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0095	0.063
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0095	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0104	0.0104
Echinococcus granulosus	tar DNA binding protein	0.0127	0.0741	0.0658
Brugia malayi	beta-lactamase	0.0037	0.0095	0.0221
Onchocerca volvulus		0.0037	0.0095	0.0193
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.0741	0.0658
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0095	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0304	0.201	0.201
Echinococcus granulosus	intermediate filament protein	0.0082	0.0417	0.0331
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0089	0.0474	0.0388
Loa Loa (eye worm)	Na/Ca eXchangers family member	0.0036	0.0089	0.0089

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 613450