TDR Targets

Basic information

Technical information

TDR Targets ID: 673351
Name: 1-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl] pyrrolidine-2,5-dione
MW: 334.197 | Formula: C17H13Cl2NO2
H donors: 0 H acceptors: 2 LogP: 3.95 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)CC1CC(=O)N(C1=O)c1cccc(c1)Cl
InChi: 1S/C17H13Cl2NO2/c18-13-6-4-11(5-7-13)8-12-9-16(21)20(17(12)22)15-3-1-2-14(19)10-15/h1-7,10,12H,8-9H2
InChiKey: ZMOJBMXRDLNHAM-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

3-(4-chlorobenzyl)-1-(3-chlorophenyl)pyrrolidine-2,5-quinone
AJ-292/40711411
Oprea1_765049

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
Brugia malayi	Pre-SET motif family protein	0.0201	0.2815	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.003	0.0181	0.0099
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0164	0.225	1
Trypanosoma brucei	phosphoglycerate kinase	0.006	0.0644	0.2861
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0142	0.0142
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0409	0.1262
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0188	0.2607	0.5251
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0047	0.0431	0.0431
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1121	0.3454
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1121	0.3454
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Trichomonas vaginalis	glutathione reductase, putative	0.0028	0.0152	0.0469
Loa Loa (eye worm)	glutathione reductase	0.0082	0.0981	0.2281
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0028	0.0152	0.0152
Trypanosoma cruzi	polo-like protein kinase, putative	0.0091	0.1121	0.4981
Entamoeba histolytica	hypothetical protein	0.0023	0.0061	0.0271
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0028	0.0152	0.0676
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.0047	0.0431	0.137
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0142	0.0632
Leishmania major	ubiquitin-activating enzyme-like protein	0.0031	0.0185	0.0823
Trypanosoma brucei	DNA polymerase eta, putative	0.0043	0.038	0.1688
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0409	0.1262
Brugia malayi	Phosphoglycerate kinase	0.006	0.0644	0.2287
Toxoplasma gondii	ThiF family protein	0.0031	0.0185	0.0108
Plasmodium vivax	thioredoxin reductase, putative	0.0082	0.0981	0.3981
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.006	0.0644	0.2861
Plasmodium falciparum	phosphoglycerate kinase	0.0164	0.225	1
Trypanosoma brucei	trypanothione reductase	0.0082	0.0981	0.4362
Echinococcus granulosus	dna polymerase eta	0.0043	0.038	0.038
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0061	0.0188
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1121	0.3454
Echinococcus multilocularis	SUMO activating enzyme subunit 2	0.0031	0.0185	0.0185
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0188	0.2607	0.8898
Echinococcus multilocularis	microtubule associated protein 2	0.0667	1	1
Toxoplasma gondii	thioredoxin reductase	0.0082	0.0981	0.2114
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0042	0.0365	0.0365
Giardia lamblia	Phosphoglycerate kinase	0.0164	0.225	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0208	0.293	1
Schistosoma mansoni	serine/threonine protein kinase	0.0091	0.1121	0.1121
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0082	0.0981	0.3349
Loa Loa (eye worm)	thioredoxin reductase	0.0082	0.0981	0.2281
Plasmodium falciparum	glutathione reductase	0.0082	0.0981	0.3981
Trypanosoma cruzi	DNA polymerase eta, putative	0.0043	0.038	0.1688
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1121	0.3454
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0142	0.0142
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.008	0.0947	0.0947
Plasmodium vivax	SET domain protein, putative	0.0029	0.0157	0.0072
Plasmodium falciparum	glutathione reductase	0.0028	0.0152	0.0047
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0028	0.0152	0.0676
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0208	0.293	1
Schistosoma mansoni	hypothetical protein	0.008	0.0947	0.0947
Treponema pallidum	phosphoglycerate kinase	0.0164	0.225	1
Toxoplasma gondii	PAN domain-containing protein	0.0285	0.411	1
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.008	0.0947	0.3364
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.008	0.0947	0.0947
Schistosoma mansoni	DNA polymerase eta	0.0043	0.038	0.038
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0061	0.0271
Trypanosoma brucei	polo-like protein kinase	0.0091	0.1121	0.4981
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0091	0.1121	0.3121
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.006	0.0644	0.2861
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0208	0.293	1
Brugia malayi	Phosphoglycerate kinase	0.0164	0.225	0.7991
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0164	0.225	0.5311
Brugia malayi	serine/threonine-protein kinase plk-2	0.0091	0.1121	0.3981
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0157	0.0157
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.008	0.0947	0.0947
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0157	0.0157
Loa Loa (eye worm)	apoptosis regulator protein	0.008	0.0947	0.2201
Brugia malayi	ThiF family protein	0.0047	0.0431	0.1531
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0028	0.0152	0.0047
Echinococcus granulosus	sumo-activating enzyme subunit 2	0.0031	0.0185	0.0185
Chlamydia trachomatis	phosphoglycerate kinase	0.0164	0.225	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0091	0.1121	0.4981
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0142	0.0331
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0028	0.0152	0.0676
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0028	0.0152	0.0047
Plasmodium vivax	SUMO-activating enzyme subunit 2, putative	0.0031	0.0185	0.0204
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0028	0.0152	0.0676
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.006	0.0644	0.2861
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.006	0.0644	0.2861
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0061	0.0271
Echinococcus multilocularis	snurportin 1	0.0297	0.4301	0.4301
Leishmania major	trypanothione reductase	0.0082	0.0981	0.4362
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0028	0.0152	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0043	0.038	0.0883
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0021	0.0035	0.0125
Trichomonas vaginalis	mercuric reductase, putative	0.0028	0.0152	0.0469
Schistosoma mansoni	hypothetical protein	0.008	0.0947	0.0947
Brugia malayi	RNA, U transporter 1	0.0079	0.0935	0.332
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0028	0.0152	0.0676
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0028	0.0152	0.0676
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0164	0.225	1
Echinococcus granulosus	snurportin 1	0.0297	0.4301	0.4301
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0164	0.225	0.6935
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0157	0.0157
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0091	0.1121	0.2605
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0208	0.293	1
Plasmodium vivax	phosphoglycerate kinase, putative	0.0164	0.225	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0091	0.1121	0.4981
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.0047	0.0431	0.0431
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0164	0.225	0.225
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0028	0.0152	0.0025
Brugia malayi	Pre-SET motif family protein	0.0029	0.0157	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1121	0.3454
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0026	0.0119	0.053
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0431	0.1002
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.0047	0.0431	0.0431
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0188	0.2607	0.8898
Trypanosoma brucei	phosphoglycerate kinase, putative	0.006	0.0644	0.2861
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0188	0.2607	0.8898
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1121	0.3454
Brugia malayi	ThiF family protein	0.0031	0.0185	0.0658
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0164	0.225	1
Trypanosoma brucei	phosphoglycerate kinase	0.0164	0.225	1
Leishmania major	DNA polymerase eta, putative	0.003	0.0181	0.0806
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0028	0.0152	0.0152
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0028	0.0152	0.0676
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0164	0.225	0.5311
Toxoplasma gondii	PAN domain-containing protein	0.0285	0.411	1
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.008	0.0947	0.0947
Schistosoma mansoni	hypothetical protein	0.0297	0.4301	0.4301
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0164	0.225	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0297	0.4301	1
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0031	0.0185	0.0823
Brugia malayi	glutathione reductase	0.0082	0.0981	0.3485
Plasmodium falciparum	SUMO-activating enzyme subunit 2	0.0031	0.0185	0.0204
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0031	0.0185	0.0823
Brugia malayi	Importin beta-1 subunit	0.0028	0.0142	0.0505
Brugia malayi	ImpB/MucB/SamB family protein	0.0043	0.038	0.1349
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0142	0.0632
Onchocerca volvulus		0.0229	0.3244	1
Schistosoma mansoni	phosphoglycerate kinase	0.0164	0.225	0.225
Schistosoma mansoni	microtubule-associated protein tau	0.0667	1	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0028	0.0152	0.0676
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0021	0.0035	0.0125
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0157	0.0157
Giardia lamblia	Kinase, PLK	0.0091	0.1121	0.4981
Trypanosoma cruzi	DNA polymerase eta, putative	0.003	0.0181	0.0806
Echinococcus multilocularis	dna polymerase eta	0.0043	0.038	0.038
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.006	0.0644	0.2861
Schistosoma mansoni	ubiquitin-activating enzyme E1b	0.0031	0.0185	0.0185
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0164	0.225	0.6935
Loa Loa (eye worm)	hypothetical protein	0.0164	0.225	0.523
Plasmodium vivax	ubiquitin activating enzyme, putative	0.0047	0.0431	0.137
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0028	0.0152	0.054
Plasmodium falciparum	thioredoxin reductase	0.0082	0.0981	0.3981
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1121	0.3454
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Schistosoma mansoni	apoptosis regulator bax	0.008	0.0947	0.0947
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0091	0.1121	0.1121
Schistosoma mansoni	hypothetical protein	0.008	0.0947	0.0947
Mycobacterium tuberculosis	Probable reductase	0.0188	0.2607	0.8898
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.3244	1
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.006	0.0644	0.2861
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0028	0.0152	0.0152
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0061	0.0188
Schistosoma mansoni	phosphoglycerate kinase	0.0164	0.225	0.225
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0164	0.225	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0157	0.0038
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0028	0.0152	0.0676
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0164	0.225	0.7678
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0157	0.0157
Toxoplasma gondii	hypothetical protein	0.0047	0.0431	0.0728
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0188	0.2607	0.8898
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.008	0.0947	0.0947
Loa Loa (eye worm)	ThiF family protein	0.0031	0.0185	0.043
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0157	0.0157
Echinococcus granulosus	phosphoglycerate kinase 1	0.0164	0.225	0.225
Schistosoma mansoni	importin beta-1	0.0028	0.0142	0.0142
Leishmania major	DNA polymerase eta, putative	0.0043	0.038	0.1688
Echinococcus granulosus	thioredoxin glutathione reductase	0.0083	0.0989	0.0989
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0141	0.0141
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0061	0.0188
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0028	0.0152	0.0676
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0028	0.0152	0.0676
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.2815	0.6544
Schistosoma mansoni	kinase	0.0046	0.0428	0.0428
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0028	0.0152	0.0047
Trypanosoma cruzi	trypanothione reductase, putative	0.0082	0.0981	0.4362
Toxoplasma gondii	NADPH-glutathione reductase	0.0028	0.0152	0.0025
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0028	0.0152	0.0519
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0157	0.0157
Mycobacterium tuberculosis	Probable dehydrogenase	0.0188	0.2607	0.8898
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0028	0.0152	0.0676
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0091	0.1121	0.4981
Plasmodium falciparum	thioredoxin reductase	0.0028	0.0152	0.0047
Trypanosoma cruzi	trypanothione reductase, putative	0.0028	0.0152	0.0676
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0091	0.1121	0.1121
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0028	0.0152	0.0676
Loa Loa (eye worm)	hypothetical protein	0.008	0.0947	0.2201
Mycobacterium ulcerans	phosphoglycerate kinase	0.0164	0.225	1
Plasmodium vivax	glutathione reductase, putative	0.0082	0.0981	0.3981
Brugia malayi	Thioredoxin reductase	0.0082	0.0981	0.3485
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0157	0.0366
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0164	0.225	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0083	0.0989	0.0989
Trypanosoma brucei	phosphoglycerate kinase	0.0164	0.225	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 673351