TDR Targets

Basic information

Technical information

TDR Targets ID: 1802377
Name: 1-(4-bromophenyl)-3-[1-(4-nitrophenyl)ethylid eneamino]urea
MW: 377.193 | Formula: C15H13BrN4O3
H donors: 2 H acceptors: 3 LogP: 3.3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)Br)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C
InChi: 1S/C15H13BrN4O3/c1-10(11-2-8-14(9-3-11)20(22)23)18-19-15(21)17-13-6-4-12(16)5-7-13/h2-9H,1H3,(H2,17,19,21)/b18-10+
InChiKey: ZXCFBBISNVIGCE-VCHYOVAHSA-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

NSC715162

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
Onchocerca volvulus		0.0037	1	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0011	0.0683	0.0278
Loa Loa (eye worm)	oxidoreductase	0.0037	1	1
Trypanosoma cruzi	ABC transporter, putative	0.0011	0.0683	0.0278
Mycobacterium leprae	Conserved hypothetical protein	0.0026	0.6092	0.5922
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Echinococcus granulosus	aldehyde reductase	0.0026	0.6092	0.5922
Entamoeba histolytica	aldose reductase, putative	0.0037	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0011	0.0683	0.0278
Trypanosoma cruzi	aldo/keto reductase, putative	0.0037	1	1
Leishmania major	prostaglandin f synthase, putative	0.0037	1	1
Entamoeba histolytica	aldose reductase, putative	0.0037	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase	0.0037	1	1
Echinococcus granulosus	aldo keto reductase	0.0037	1	1
Loa Loa (eye worm)	oxidoreductase	0.0037	1	1
Schistosoma mansoni	aldo-keto reductase	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Onchocerca volvulus		0.0037	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Echinococcus multilocularis	aldehyde reductase	0.0026	0.6092	0.5922
Entamoeba histolytica	aldose reductase, putative	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0011	0.0417	0.037
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0037	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase	0.0037	1	1
Plasmodium vivax	ABC transporter G family member 2, putative	0.0011	0.0683	1
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.0011	0.0683	0.0278
Echinococcus multilocularis	aldo keto reductase	0.0037	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0037	1	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0011	0.0683	0.0278
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Loa Loa (eye worm)	oxidoreductase	0.0037	1	1
Toxoplasma gondii	aldose reductase, putative	0.0037	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0037	1	1
Schistosoma mansoni	pol-related	0.0037	1	1
Trypanosoma cruzi	aldo-keto reductase	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Entamoeba histolytica	ABC transporter, putative	0.0011	0.0683	0.0278
Brugia malayi	NADH-dependent xylose reductase	0.0011	0.0417	0.037
Trichomonas vaginalis	aldo/keto reductase, putative	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Schistosoma mansoni	ABC transporter	0.001	0.0049	0.0049
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0037	1	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0011	0.0683	0.0278
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.0011	0.0683	0.0278
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0037	1	1
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0011	0.0683	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0037	1	1
Giardia lamblia	Aldose reductase	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Onchocerca volvulus		0.0037	1	1
Echinococcus granulosus	aldo keto reductase	0.0037	1	1
Trypanosoma brucei	prostaglandin f synthase	0.0037	1	1
Onchocerca volvulus		0.0037	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Onchocerca volvulus		0.0037	1	1
Loa Loa (eye worm)	oxidoreductase	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Mycobacterium tuberculosis	Conserved protein	0.0011	0.0417	0.0417
Echinococcus granulosus	hypothetical protein	0.0037	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Onchocerca volvulus		0.0037	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0037	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Plasmodium falciparum	ABC transporter G family member 2	0.0011	0.0683	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.0011	0.0683	0.0278
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Giardia lamblia	Aldose reductase	0.0037	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0011	0.0417	0.037
Echinococcus granulosus	aldo keto reductase	0.0037	1	1
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.0011	0.0683	0.0278
Mycobacterium ulcerans	oxidoreductase	0.0037	1	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0011	0.0683	0.0278
Echinococcus multilocularis	aldo keto reductase	0.0037	1	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0011	0.0683	0.0278
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Schistosoma mansoni	potassium channel beta	0.0011	0.0417	0.0417
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Schistosoma mansoni	aldo-keto reductase	0.0037	1	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0011	0.0683	0.0278
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0037	1	1
Trypanosoma brucei	ATP-binding cassette protein, putative	0.0011	0.0683	0.0278
Leishmania major	aldo-keto reductase-like protein	0.0037	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0011	0.0683	0.0278
Trypanosoma brucei	ABC transporter, putative	0.0011	0.0683	0.0278
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0037	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0037	1	1
Loa Loa (eye worm)	oxidoreductase	0.0037	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0011	0.0683	0.0278
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0037	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0037	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
MED (functional)	= 300 mg kg-1	Antiepileptic activity in Mus musculus (mouse) assessed as minimum dose required to protect half or more number of animals against maximal electroshock-induced seizures after 0.5 hr	ChEMBL.	No reference

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

ChEMBL: CHEMBL2282245

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1802377