TDR Targets

Basic information

Technical information

TDR Targets ID: 775184
Name: 1-(3-bromophenyl)-3-[4-(3-chlorophenyl)pipera zin-1-yl]pyrrolidine-2,5-dione
MW: 448.741 | Formula: C20H19BrClN3O2
H donors: 0 H acceptors: 2 LogP: 3.78 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)N1CCN(CC1)C1CC(=O)N(C1=O)c1cccc(c1)Br
InChi: 1S/C20H19BrClN3O2/c21-14-3-1-6-17(11-14)25-19(26)13-18(20(25)27)24-9-7-23(8-10-24)16-5-2-4-15(22)12-16/h1-6,11-12,18H,7-10,13H2
InChiKey: VTIHBABYZWAUFQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-(3-bromophenyl)-3-[4-(3-chlorophenyl)-1-piperazinyl]pyrrolidine-2,5-dione
1-(3-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-quinone
1-(3-Bromo-phenyl)-3-[4-(3-chloro-phenyl)-piperazin-1-yl]-pyrrolidine-2,5-dione
BAS 00345508
CBDivE_007996
STOCK2S-80871

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
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.004	0.0641	1
Schistosoma mansoni	calpain-7 (C02 family)	0.004	0.0641	0.0641
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0111	0.2762	0.2762
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.004	0.0641	1
Brugia malayi	calpain 5	0.0028	0.0281	0.1073
Brugia malayi	calpain 7	0.004	0.0641	0.2448
Echinococcus multilocularis	calpain	0.004	0.0641	0.0641
Schistosoma mansoni	hypothetical protein	0.0354	1	1
Brugia malayi	calpain family protein 1	0.0106	0.2619	1
Echinococcus granulosus	calpain A	0.0111	0.2762	0.2762
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0	0.5
Trypanosoma brucei	calpain-like protein, putative	0.004	0.0641	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.004	0.0641	1
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.004	0.0641	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1781	0.6801
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0028	0.0281	1
Trypanosoma brucei	calpain-like protein, putative	0.004	0.0641	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0106	0.2619	0.2619
Echinococcus multilocularis	calpain family protein 1, d	0.0078	0.1781	0.1781
Trypanosoma brucei	antigen, putative	0.004	0.0641	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Echinococcus multilocularis	calpain 7 (C02 family)	0.004	0.0641	0.0641
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0111	0.2762	0.2762
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Trypanosoma cruzi	kinesin, putative	0.0028	0.0281	0.4383
Trypanosoma brucei	calpain-like protein, putative	0.004	0.0641	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Trypanosoma brucei	calpain-like protein, putative	0.004	0.0641	1
Loa Loa (eye worm)	calpain family protein 1	0.0078	0.1781	0.6801
Schistosoma mansoni	calpain-7 (C02 family)	0.004	0.0641	0.0641
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0111	0.2762	0.2762
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Entamoeba histolytica	protein kinase, putative	0.0028	0.0281	1
Loa Loa (eye worm)	calpain	0.004	0.0641	0.2448
Echinococcus multilocularis	geminin	0.0354	1	1
Echinococcus granulosus	calpain 7 C02 family	0.004	0.0641	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0106	0.2619	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1421	0.5426
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2258	0.8625
Trypanosoma brucei	kinesin, putative	0.0028	0.0281	0.4383
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0111	0.2762	0.2762
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.004	0.0641	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0	0.5
Echinococcus multilocularis	calpain 5	0.004	0.0641	0.0641
Echinococcus granulosus	calpain 5	0.004	0.0641	0.0641
Echinococcus granulosus	calpain	0.004	0.0641	0.0641
Leishmania major	kinesin, putative	0.0028	0.0281	0.4383
Onchocerca volvulus		0.0066	0.1421	0.5
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.004	0.0641	1
Schistosoma mansoni	Mername-AA248 (C02 family)	0.004	0.0641	0.0641
Toxoplasma gondii	exonuclease III APE	0.0019	0	0.5
Loa Loa (eye worm)	calpain family protein 1	0.0106	0.2619	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Echinococcus granulosus	calpain A	0.004	0.0641	0.0641
Schistosoma mansoni	hypothetical protein	0.0354	1	1
Loa Loa (eye worm)	calpain 5	0.0028	0.0281	0.1073
Echinococcus multilocularis	calpain A	0.0111	0.2762	0.2762
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.004	0.0641	1
Schistosoma mansoni	calpain C (C02 family)	0.004	0.0641	0.0641
Schistosoma mansoni	calpain (C02 family)	0.004	0.0641	0.0641
Trypanosoma cruzi	kinesin, putative	0.0028	0.0281	0.4383
Plasmodium vivax	calpain, putative	0.004	0.0641	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0	0.5
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.004	0.0641	1
Echinococcus multilocularis	hypothetical protein	0.004	0.0641	0.0641
Brugia malayi	calpain family protein 1	0.0106	0.2619	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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 775184