TDR Targets

Basic information

Technical information

TDR Targets ID: 784955
Name: 1-(3-methoxyphenyl)-3-(4-pyridin-2-ylpiperazi n-1-yl)pyrrolidine-2,5-dione
MW: 366.414 | Formula: C20H22N4O3
H donors: 0 H acceptors: 3 LogP: 1.7 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)N1C(=O)CC(C1=O)N1CCN(CC1)c1ccccn1
InChi: 1S/C20H22N4O3/c1-27-16-6-4-5-15(13-16)24-19(25)14-17(20(24)26)22-9-11-23(12-10-22)18-7-2-3-8-21-18/h2-8,13,17H,9-12,14H2,1H3
InChiKey: RKKCQAJSHDDDLO-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

1-(3-methoxyphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]pyrrolidine-2,5-dione
1-(3-methoxyphenyl)-3-[4-(2-pyridyl)-1-piperazinyl]pyrrolidine-2,5-dione
1-(3-methoxyphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]pyrrolidine-2,5-quinone
1-(3-Methoxy-phenyl)-3-(4-pyridin-2-yl-piperazin-1-yl)-pyrrolidine-2,5-dione
BAS 00485105
AG-205/36592017
A0951/0044491

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	0.0037	0.0241	0.0354
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0759	0.1116
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0241	0.0354
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0759	0.1116
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0027	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1769	0.26
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0792	0.1164
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.4318	0.5611
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.4318	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1147	0.1687
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0241	0.0598
Onchocerca volvulus		0.0061	0.1147	0.1453
Leishmania major	hypothetical protein, conserved	0.0037	0.0241	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.0138	0.397	0.5836
Schistosoma mansoni	hypothetical protein	0.0035	0.0168	0.0418
Echinococcus multilocularis	short transient receptor potential channel 6	0.0062	0.1174	0.2918
Echinococcus granulosus	transient receptor potential gamma protein	0.0094	0.2343	0.5822
Onchocerca volvulus		0.0245	0.7895	1
Echinococcus multilocularis	transient receptor potential ion channel A	0.0091	0.2227	0.5536
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0605	0.1504
Schistosoma mansoni	transient receptor potential channel	0.0094	0.2343	0.5822
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0233	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0241	0.0354
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0241	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0241	0.0598
Loa Loa (eye worm)	carboxylesterase	0.0138	0.397	0.5836
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0027	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0759	0.1116
Echinococcus granulosus	carboxylesterase 5A	0.0138	0.397	0.9866
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.1775	0.4411
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0175	0.0258
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0027	0.0066
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0233	0.0579
Treponema pallidum	fructose-bisphosphate aldolase	0.0302	1	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0084	0.1987	0.2517
Brugia malayi	beta-lactamase	0.0037	0.0241	0.0354
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0241	0.0354
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0233	0.0579
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Echinococcus granulosus	TRP transient receptor potential channel	0.0035	0.0175	0.0436
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0078	0.1769	0.224
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0241	0.0354
Schistosoma mansoni	chromobox protein	0.0139	0.4024	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0605	0.1504
Echinococcus multilocularis	acetylcholinesterase	0.0138	0.397	0.9866
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.6802	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0035	0.0175	0.0436
Echinococcus multilocularis	short transient receptor potential channel 6	0.0062	0.1174	0.2918
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0605	0.089
Echinococcus multilocularis	carboxylesterase 5A	0.0138	0.397	0.9866
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.7895	0.7843
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0241	0.0598
Trichomonas vaginalis	chromobox protein, putative	0.0139	0.4024	0.3877
Brugia malayi	Heterochromatin protein 1	0.0139	0.4024	0.5916
Brugia malayi	chromobox protein homolog 3	0.0078	0.1769	0.26
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0027	0.0066
Loa Loa (eye worm)	heterochromatin protein 1	0.0139	0.4024	0.5916
Onchocerca volvulus		0.0037	0.0241	0.0305
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0241	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0302	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.1769	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0241	0.0354
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0434	0.1078
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0605	0.089
Schistosoma mansoni	chromobox protein	0.0139	0.4024	1
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0929	0.0705
Echinococcus multilocularis	acetylcholinesterase	0.0138	0.397	0.9866
Echinococcus granulosus	chromobox protein 1	0.0139	0.4024	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0168	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0929	0.0705
Echinococcus granulosus	acetylcholinesterase	0.0138	0.397	0.9866
Onchocerca volvulus		0.0054	0.0866	0.1098
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0054	0.0866	0.2153
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Schistosoma mansoni	transient receptor potential channel 4	0.0094	0.2343	0.5822
Brugia malayi	jmjC domain containing protein	0.0099	0.2521	0.3706
Echinococcus granulosus	short transient receptor potential channel 6	0.0062	0.1174	0.2918
Loa Loa (eye worm)	hypothetical protein	0.0138	0.397	0.5836
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0302	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0027	0.0039
Toxoplasma gondii	ABC1 family protein	0.0037	0.0241	1
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.1769	0.1566
Schistosoma mansoni	transient receptor potential channel	0.0062	0.1174	0.2918
Trichomonas vaginalis	chromobox protein, putative	0.0139	0.4024	0.3877
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0241	0.0354
Echinococcus granulosus	short transient receptor potential channel 6	0.0062	0.1174	0.2918
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.1987	0.179
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0241	0.0354
Plasmodium vivax	SET domain protein, putative	0.0031	0.0027	0.1102
Brugia malayi	Transient-receptor-potential like protein	0.0035	0.0175	0.0258
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0605	0.1504
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0138	0.397	0.9866
Echinococcus multilocularis	transient receptor potential gamma protein	0.0094	0.2343	0.5822
Onchocerca volvulus		0.0037	0.0241	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0168	0.0248
Echinococcus granulosus	chromobox protein 1	0.0139	0.4024	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0605	0.1504
Schistosoma mansoni	transient receptor potential channel	0.0062	0.1174	0.2918
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0434	0.1078
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.7508	1
Onchocerca volvulus		0.0037	0.0241	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2343	0.3444
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0027	0.0066
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0605	0.1504
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Plasmodium falciparum	phd finger protein, putative	0.003	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0138	0.397	0.5836
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0233	0.0343
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.2521	0.6265
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0241	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0241	0.0598
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.2521	0.6265
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0027	0.0066
Brugia malayi	beta-lactamase family protein	0.0037	0.0241	0.0354
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0241	0.5
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0027	0.1102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.397	0.5836
Brugia malayi	jmjC domain containing protein	0.0036	0.0233	0.0343
Brugia malayi	Pre-SET motif family protein	0.0215	0.6802	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0241	0.0354
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.4318	1
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.1987	0.179
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0759	0.1116
Brugia malayi	Pre-SET motif family protein	0.0031	0.0027	0.0039
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0605	0.1504
Echinococcus multilocularis	chromobox protein 1	0.0139	0.4024	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.118	0.1735
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0241	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1059	0.1557
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0233	0.0579
Echinococcus multilocularis	chromobox protein 1	0.0139	0.4024	1
Echinococcus granulosus	acetylcholinesterase	0.0138	0.397	0.9866
Echinococcus granulosus	transient receptor potential ion channel A	0.0091	0.2227	0.5536
Brugia malayi	Carboxylesterase family protein	0.0138	0.397	0.5836
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0605	0.1504
Loa Loa (eye worm)	hypothetical protein	0.0032	0.006	0.0089
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	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 784955