TDR Targets

Basic information

Technical information

TDR Targets ID: 630422
Name: (5-bromofuran-2-yl)-[4-(4-nitrophenyl)piperaz in-1-yl]methanone
MW: 380.193 | Formula: C15H14BrN3O4
H donors: 0 H acceptors: 3 LogP: 3.23 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(o1)Br)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C15H14BrN3O4/c16-14-6-5-13(23-14)15(20)18-9-7-17(8-10-18)11-1-3-12(4-2-11)19(21)22/h1-6H,7-10H2
InChiKey: JNFIJENQNVTMLK-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

(5-bromo-2-furyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
(5-bromo-2-furyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone
ZINC04457762
CBMicro_028587
EU-0074452
AK-968/11987447
BIM-0028636.P001
Oprea1_573509
IVK/8047656

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)	abnormal chemotaxis protein 14	0.0041	0.0321	0.1215
Brugia malayi	hypothetical protein	0.0035	0.0242	0.1322
Brugia malayi	RNA binding protein	0.0061	0.0587	0.3224
Toxoplasma gondii	ion channel protein	0.0062	0.06	1
Onchocerca volvulus		0.0023	0.0088	0.2079
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0412	0.1443
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0088	0.047
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0037
Plasmodium vivax	potassium channel, putative	0.0062	0.06	1
Schistosoma mansoni	calcium-activated potassium channel	0.0235	0.2839	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0412	0.1561
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.1048	0.3686
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0037
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0088	0.047
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0037
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0088	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0095	0.1029	0.1027
Leishmania major	calcium/potassium channel (CAKC), putative	0.0062	0.06	1
Echinococcus granulosus	calcium activated potassium channel variant	0.0218	0.2625	0.649
Loa Loa (eye worm)	hypothetical protein	0.005	0.0441	0.1671
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0088	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0587	0.206
Entamoeba histolytica	hypothetical protein	0.0035	0.0242	0.1641
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0088	0.047
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0095	0.1029	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0088	1
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0587	0.0584
Echinococcus granulosus	potassium large conductance calcium activated	0.0235	0.2839	0.7018
Plasmodium falciparum	potassium channel	0.0062	0.06	1
Echinococcus granulosus	expressed conserved protein	0.009	0.0954	0.2353
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0324
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0062	0.06	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0088	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0321	0.1215
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0242	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0037
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0587	0.1446
Schistosoma mansoni	hypothetical protein	0.0039	0.0302	0.1055
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0088	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0587	0.206
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0587	0.2227
Echinococcus multilocularis	calcium activated potassium channel	0.0235	0.2839	0.2837
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0088	0.1424
Leishmania major	hypothetical protein, conserved	0.0062	0.06	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.1561	0.3856
Onchocerca volvulus		0.0048	0.0412	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0012	0.139
Echinococcus multilocularis	calcium activated potassium channel variant	0.0218	0.2625	0.2624
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.1561	0.1559
Entamoeba histolytica	hypothetical protein	0.0035	0.0242	0.1641
Brugia malayi	CHE-14 protein	0.0041	0.0321	0.1758
Echinococcus granulosus	calcium activated potassium channel	0.0235	0.2839	0.7018
Schistosoma mansoni	patched 1	0.0041	0.0321	0.1123
Schistosoma mansoni	calcium-activated potassium channel	0.0218	0.2625	0.9247
Echinococcus multilocularis	tumor protein p63	0.0327	0.4044	0.4042
Toxoplasma gondii	ion channel protein	0.0062	0.06	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0321	0.0788
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0088	0.1424
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1815	0.6909
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0037
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0088	0.5
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0012	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0088	1
Loa Loa (eye worm)	MaxiK calcium-activated potassium channel	0.0156	0.1815	0.6909
Loa Loa (eye worm)	hypothetical protein	0.0062	0.06	0.2277
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0088	1
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0062	0.06	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0242	0.1641
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0321	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0242	0.024
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0324
Entamoeba histolytica	hypothetical protein	0.0035	0.0242	0.1641
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0587	0.206
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0088	0.1424
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0062	0.06	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0095	0.1029	0.2539
Schistosoma mansoni	calcium-activated potassium channel	0.0062	0.06	0.2106
Brugia malayi	Niemann-Pick C1 protein precursor	0.0095	0.1029	0.5663
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0587	0.2227
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0088	1
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0587	0.3224
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0396	0.0394
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0242	0.0593
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0088	1
Echinococcus granulosus	tumor protein p63	0.0327	0.4044	1
Brugia malayi	TAR-binding protein	0.0061	0.0587	0.3224
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0321	0.0319
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0587	0.206
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1029	0.3913
Schistosoma mansoni	hypothetical protein	0.0035	0.0242	0.0845
Echinococcus multilocularis	expressed conserved protein	0.009	0.0954	0.0951
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0587	0.206
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0218	0.2625	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0302	0.1055
Echinococcus multilocularis	protein patched	0.0041	0.0321	0.0319
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0088	1
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0587	0.2227
Schistosoma mansoni	hypothetical protein	0.0039	0.0302	0.1055
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0321	0.0788
Brugia malayi	Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog	0.0156	0.1815	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0302	0.1055
Echinococcus multilocularis	potassium large conductance calcium activated	0.0235	0.2839	0.2837
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0088	0.5

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 630422