TDR Targets

Basic information

Technical information

TDR Targets ID: 950886
Name: 1-[(2-bromo-3,5-dinitrobenzoyl)amino]-3-pheny lurea
MW: 424.163 | Formula: C14H10BrN5O6
H donors: 3 H acceptors: 6 LogP: 2.44 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1)NNC(=O)c1cc(cc(c1Br)[N+](=O)[O-])[N+](=O)[O-]
InChi: 1S/C14H10BrN5O6/c15-12-10(6-9(19(23)24)7-11(12)20(25)26)13(21)17-18-14(22)16-8-4-2-1-3-5-8/h1-7H,(H,17,21)(H2,16,18,22)
InChiKey: GSLFCLBARLUAMP-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

1-[(2-bromo-3,5-dinitro-benzoyl)amino]-3-phenyl-urea
1-[[(2-bromo-3,5-dinitrophenyl)-oxomethyl]amino]-3-phenylurea
1-[(2-bromo-3,5-dinitro-phenyl)carbonylamino]-3-phenyl-urea

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	ATP phosphoribosyltransferase HisG	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	ATP phosphoribosyltransferase HisG	Get druggable targets OG5_129102	All targets in OG5_129102
Mycobacterium leprae	Probable ATP phosphoribosyltransferase HisG	Get druggable targets OG5_129102	All targets in OG5_129102
Candida albicans	ATP phosphoribosyltransferase	Get druggable targets OG5_129102	All targets in OG5_129102
Candida albicans	ATP phosphoribosyltransferase	Get druggable targets OG5_129102	All targets in OG5_129102
Mycobacterium ulcerans	ATP phosphoribosyltransferase	Get druggable targets OG5_129102	All targets in OG5_129102

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	guanine nucleotide binding protein Gs subunit	0.005	0.0545	0.0545
Echinococcus granulosus	cathepsin l1	0.0018	0.0119	0.0119
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0119	0.0187
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0022	0.0022
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0022	0.0034
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0022	0.0022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0545	0.0545
Brugia malayi	steroid hormone receptor	0.0011	0.0022	0.0034
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0545	0.0545
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0022	0.0022
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.081	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0022	0.0022
Brugia malayi	hypothetical protein	0.0485	0.6373	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0022	0.0022
Onchocerca volvulus		0.0018	0.0119	0.0153
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0022	0.0022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.0764	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0012	0.0038	0.0059
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0764	0.0764
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.081	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Onchocerca volvulus		0.0018	0.0119	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0022	0.0034
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0018	0.0119	1
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.0119	0.0153
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0022	0.0034
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0119	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0038	0.0025
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0038	0.0059
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.081	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0119	0.0119
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0022	0.0022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Onchocerca volvulus		0.0018	0.0119	0.0153
Loa Loa (eye worm)	ctsf protein	0.0018	0.0119	0.0153
Echinococcus multilocularis	cysteine protease	0.0018	0.0119	0.0119
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.081	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0022	0.0022
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0022	0.0022
Mycobacterium tuberculosis	ATP phosphoribosyltransferase HisG	0.0424	0.5559	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0022	0.0022
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0119	0.0187
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0119	0.0153
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0022	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0485	0.6373	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0545	0.0545
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Echinococcus multilocularis	cysteine protease	0.0018	0.0119	0.0119
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0119	0.0119
Onchocerca volvulus		0.0012	0.0038	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Brugia malayi	nuclear hormone receptor	0.0011	0.0022	0.0034
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0022	0.0022
Loa Loa (eye worm)	cysteine protease	0.0018	0.0119	0.0153
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0038	0.0059
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0022	0.0034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0022	0.0034
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0018	0.0119	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0022	0.0022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0119	0.0153
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0119	0.0153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0018	0.0119	0.1472
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0022	0.0034
Schistosoma mansoni	coup transcription factor	0.0011	0.0022	0.0022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0119	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0119	0.0153
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0545	0.0823
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0545	0.0545
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0022	0.0022
Mycobacterium ulcerans	ATP phosphoribosyltransferase	0.0424	0.5559	1
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0119	0.0153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Loa Loa (eye worm)	fibroinase	0.0018	0.0119	0.0153
Onchocerca volvulus		0.0018	0.0119	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0022	0.0034
Leishmania major	cathepsin L-like protease	0.007	0.081	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0022	0.0022
Echinococcus multilocularis	microtubule associated protein 2	0.0756	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0119	0.0119
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0022	0.0022
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0022	0.0034
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0064	0.0728	0.8997
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0022	0.0022
Onchocerca volvulus		0.0018	0.0119	0.0153
Leishmania major	cathepsin L-like protease	0.007	0.081	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0545	0.0545
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0038	0.3182
Echinococcus multilocularis	Protein lozenge	0.0061	0.0689	0.0689
Plasmodium vivax	vivapain-2	0.0018	0.0119	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0012	0.0038	0.0038
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0038	0.3182
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0022	0.0034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0038	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Onchocerca volvulus		0.0018	0.0119	0.0153
Leishmania major	cathepsin L-like protease	0.007	0.081	1
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0022	0.0022
Onchocerca volvulus		0.0485	0.6373	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Loa Loa (eye worm)	hypothetical protein	0.0485	0.6373	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0764	0.0764
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0545	0.0855
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0764	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0038	0.0025
Brugia malayi	cathepsin L-like precursor	0.0012	0.0038	0.0059
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0119	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0022	0.0022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0022	0.0022
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0022	0.0034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0119	0.0187
Echinococcus granulosus	cathepsin l1	0.0012	0.0038	0.0038
Trypanosoma cruzi	major cysteine proteinase, putative	0.0055	0.0609	0.7525
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0022	0.0034
Schistosoma mansoni	lozenge	0.0061	0.0689	0.0689
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0119	0.0187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0119	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0545	0.0545
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0119	0.0119
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0022	0.0022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0022	0.0022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.081	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Plasmodium vivax	vivapain-2	0.0018	0.0119	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0022	0.0034
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0119	0.0187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0022	0.0022
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0119	0.0187
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0119	1
Onchocerca volvulus		0.0018	0.0119	0.0153
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0764	0.0764
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0022	0.0022
Entamoeba histolytica	cysteine protease, putative	0.0018	0.0119	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0022	0.0022
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0022	0.0022
Mycobacterium leprae	Probable ATP phosphoribosyltransferase HisG	0.0424	0.5559	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0119	0.0187
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0022	0.0022
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0119	0.0119
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0764	0.9347
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0119	0.0119
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0022	0.0034
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0038	0.0025
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0022	0.0022
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0022	0.0034
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0022	0.0034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0119	0.0119
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0119	0.0119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0119	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0022	0.0034
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0018	0.0119	1
Schistosoma mansoni	microtubule-associated protein tau	0.0756	1	1
Loa Loa (eye worm)	runx1	0.0061	0.0689	0.105
Brugia malayi	ecdysteroid receptor	0.0011	0.0022	0.0034

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.5 uM	Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP production by spectrophotometry	ChEMBL.	18778048
Inhibition (binding)	= 71 %	Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP production at 10 uM by spectrophotometry	ChEMBL.	18778048

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: CHEMBL451611

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 950886