TDR Targets

Basic information

Technical information

TDR Targets ID: 820327
Name: (2-bromophenyl)-[4-(4-fluoro-2-nitro-5-pyrrol idin-1-ylphenyl)piperazin-1-yl]methanone
MW: 477.327 | Formula: C21H22BrFN4O3
H donors: 0 H acceptors: 3 LogP: 4.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1ccccc1Br)N1CCCC1
InChi: 1S/C21H22BrFN4O3/c22-16-6-2-1-5-15(16)21(28)26-11-9-25(10-12-26)19-14-18(24-7-3-4-8-24)17(23)13-20(19)27(29)30/h1-2,5-6,13-14H,3-4,7-12H2
InChiKey: DPSPFZKLUOJRTC-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

(2-bromophenyl)-[4-(4-fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone
(2-bromophenyl)-[4-(4-fluoro-2-nitro-5-1-pyrrolidinylphenyl)-1-piperazinyl]methanone
BIM-0014503.P001
CBMicro_014448
A2559/0109022
Oprea1_250016

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
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0058	0.1828	0.1828
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1828	0.1828
Onchocerca volvulus		0.0058	0.1828	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0041	0.0582	0.0582
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Schistosoma mansoni	cathepsin F (C01 family)	0.0041	0.0582	0.0582
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Onchocerca volvulus		0.0058	0.1828	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0058	0.1828	0.9963
Trypanosoma cruzi	cruzipain precursor, putative	0.0058	0.1828	0.1828
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Onchocerca volvulus		0.0058	0.1828	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0041	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1828	0.1323
Brugia malayi	cathepsin L-like precursor	0.0041	0.0582	0.0582
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0058	0.1828	0.8189
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0058	0.1828	0.1323
Echinococcus granulosus	cathepsin b	0.0174	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.1828	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0172	0.987	0.987
Echinococcus granulosus	cathepsin l1	0.0058	0.1828	0.1828
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1828	0.1828
Echinococcus multilocularis	cathepsin b	0.0174	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.1828	0.1828
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Echinococcus granulosus	cathepsin l1	0.0041	0.0582	0.0582
Plasmodium falciparum	plasmepsin VI	0.0058	0.1835	1
Loa Loa (eye worm)	cathepsin B	0.0064	0.2232	0.1752
Echinococcus multilocularis	cathepsin L cysteine protease	0.0058	0.1828	0.1828
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0058	0.1828	0.9963
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0058	0.1828	0.1828
Toxoplasma gondii	cathepsin B	0.0064	0.2232	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0058	0.1835	0.1835
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0064	0.2232	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0174	1	1
Loa Loa (eye worm)	fibroinase	0.0058	0.1828	0.1323
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0064	0.2232	0.2232
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.1828	0.1828
Entamoeba histolytica	cysteine protease, putative	0.0058	0.1828	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0058	0.1828	0.8189
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1835	0.133
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Giardia lamblia	Cathepsin B precursor	0.0064	0.2232	0.5
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0058	0.1835	0.8219
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1828	0.1828
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1828	0.1828
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1828	0.1828
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0058	0.1828	0.9963
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.0582	0.2606
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1828	0.1828
Loa Loa (eye worm)	cysteine protease	0.0058	0.1828	0.1323
Echinococcus multilocularis	cysteine protease	0.0058	0.1828	0.1828
Onchocerca volvulus		0.0058	0.1828	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0058	0.1835	0.0169
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.1828	1
Onchocerca volvulus		0.0058	0.1828	1
Giardia lamblia	Cathepsin B precursor	0.0064	0.2232	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Toxoplasma gondii	aspartyl protease ASP1	0.0058	0.1835	0.0169
Brugia malayi	Cathepsin L-like precursor	0.0041	0.0582	0.0582
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Plasmodium falciparum	plasmepsin IV	0.0058	0.1835	1
Plasmodium vivax	vivapain-2	0.0058	0.1828	0.9963
Onchocerca volvulus	Cathepsin F homolog	0.0058	0.1828	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0058	0.1835	0.133
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0058	0.1835	0.1835
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.1828	0.1828
Plasmodium falciparum	plasmepsin II	0.0058	0.1835	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0174	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Onchocerca volvulus		0.0058	0.1828	1
Plasmodium falciparum	plasmepsin I	0.0058	0.1835	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0058	0.1828	0.1323
Entamoeba histolytica	cysteine proteinase, putative	0.0041	0.0582	0.3182
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0174	1	1
Onchocerca volvulus		0.0058	0.1828	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1828	0.1828
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1828	0.1828
Plasmodium vivax	vivapain-2	0.0058	0.1828	0.9963
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0058	0.1828	0.1828
Plasmodium vivax	plasmepsin IV, putative	0.0058	0.1835	1
Onchocerca volvulus	Cathepsin L homolog	0.0058	0.1828	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0058	0.1835	0.1835
Loa Loa (eye worm)	ctsf protein	0.0058	0.1828	0.1323
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0174	1	1
Echinococcus multilocularis	cysteine protease	0.0058	0.1828	0.1828
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1828	0.1828
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0058	0.1828	0.1828
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0064	0.2232	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0064	0.2232	0.2232
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1828	0.1828
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Echinococcus granulosus	cathepsin b	0.0174	1	1
Plasmodium vivax	aspartyl proteinase, putative	0.0058	0.1835	1
Loa Loa (eye worm)	hypothetical protein	0.0174	1	1
Brugia malayi	Cathepsin L-like precursor	0.0041	0.0582	0.0582
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.0582	0.2606
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Echinococcus multilocularis	cathepsin b	0.0174	1	1
Giardia lamblia	Cathepsin B precursor	0.0064	0.2232	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1828	0.8189
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1828	0.8189
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0064	0.2232	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0058	0.1828	0.1828
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Onchocerca volvulus	Cathepsin L homolog	0.0058	0.1828	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1828	0.8189
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0174	1	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0172	0.987	0.987

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 820327