TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.154 | Formula: C13H10BrN5O3
H donors: 2 H acceptors: 4 LogP: 2.36 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cc(/C=N/N=C(/c2ccncc2)\N)c(c(c1)[N+](=O)[O-])O
InChi: 1S/C13H10BrN5O3/c14-10-5-9(12(20)11(6-10)19(21)22)7-17-18-13(15)8-1-3-16-4-2-8/h1-7,20H,(H2,15,18)/b17-7+
InChiKey: QVHVTFSJDXEODP-REZTVBANSA-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

No synonyms found for this compound

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	Niemann Pick C1 protein	0.0137	0.1556	0.2391
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0405	0.0349
Echinococcus multilocularis	shaker cognate	0.0021	0.0062	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.006	0.0137
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.0021	0.0062	0.0142
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.006	0.0137
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.1028	0.098
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1443	0.221
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0062	0.0004
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0415	0.0568
Brugia malayi	hypothetical protein	0.0024	0.0111	0.0254
Entamoeba histolytica	hypothetical protein	0.0108	0.1181	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0405	1
Echinococcus multilocularis	X box binding protein 1	0.028	0.3398	0.3381
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.017	0.0176
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1329	0.4702
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.017	0.2008
Echinococcus granulosus	voltage gated potassium channel	0.0021	0.0062	0.0004
Echinococcus granulosus	geminin	0.0507	0.6317	1
Echinococcus granulosus	shaker cognate	0.0021	0.0062	0.0004
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.017	0.0112
Brugia malayi	MH2 domain containing protein	0.0357	0.439	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.006	0.0137
Loa Loa (eye worm)	hypothetical protein	0.005	0.0444	0.0887
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0253	0.3057	0.6962
Loa Loa (eye worm)	RNA binding protein	0.0128	0.1443	0.3193
Schistosoma mansoni	hypothetical protein	0.0051	0.0449	0.0622
Plasmodium vivax	SET domain protein, putative	0.0029	0.017	0.2008
Echinococcus multilocularis	protein dispatched 1	0.0047	0.04	0.0344
Brugia malayi	hypothetical protein	0.0119	0.1329	0.3026
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0449	0.0622
Echinococcus granulosus	Potassium voltage gated channel protein Shaw	0.0021	0.0062	0.0004
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.006	0.0137
Brugia malayi	MH2 domain containing protein	0.0024	0.011	0.0251
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0415	0.0946
Schistosoma mansoni	hypothetical protein	0.004	0.0306	0.0393
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0047	0.0405	0.0551
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.017	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0253	0.3057	0.692
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0062	0.0004
Brugia malayi	ecdysteroid receptor	0.002	0.006	0.0137
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0415	0.036
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.1047	0.1577
Schistosoma mansoni	Smad4	0.0024	0.011	0.008
Echinococcus multilocularis	potassium voltage gated channel protein	0.0021	0.0062	0.0002
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.006	0.0137
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0325	0.0612
Schistosoma mansoni	smad	0.0024	0.011	0.008
Brugia malayi	hypothetical protein	0.0248	0.2993	0.6816
Loa Loa (eye worm)	MH1 domain-containing protein	0.0024	0.011	0.0116
Loa Loa (eye worm)	voltage-gated potassium channel	0.0021	0.0062	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.006	0.0137
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0047	0.0405	0.0349
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0325	0.0424
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.006	0.0137
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0047	0.0405	0.0797
Mycobacterium ulcerans	proteasome PrcA	0.0793	1	0.5
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.1028	0.1547
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0062	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2993	0.6772
Brugia malayi	MH1 domain containing protein	0.0024	0.011	0.0251
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0405	0.0349
Schistosoma mansoni	patched 1	0.0041	0.0325	0.0424
Schistosoma mansoni	hypothetical protein	0.028	0.3398	0.5335
Brugia malayi	steroid hormone receptor	0.002	0.006	0.0137
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1443	0.221
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0021	0.0062	0.0002
Brugia malayi	Pre-SET motif family protein	0.0202	0.2399	0.5463
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0242	0.2914	0.2891
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0108	0.1181	0.1136
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0062	0.0005
Echinococcus granulosus	mothers against decapentaplegic 5	0.0024	0.011	0.008
Schistosoma mansoni	smad1 5 8 and	0.0024	0.011	0.008
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0108	0.1181	0.1792
Loa Loa (eye worm)	MH2 domain-containing protein	0.0024	0.011	0.0116
Echinococcus granulosus	potassium voltage gated channel protein	0.0253	0.3057	0.4789
Schistosoma mansoni	hypothetical protein	0.004	0.0306	0.0393
Loa Loa (eye worm)	transcription factor SMAD2	0.0357	0.439	1
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0253	0.3057	0.4789
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1443	0.221
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0047	0.0405	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0405	1
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0062	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1028	0.2235
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.006	0.0137
Echinococcus multilocularis	Smad4	0.0024	0.011	0.0051
Brugia malayi	Smad1	0.0024	0.011	0.0251
Loa Loa (eye worm)	Smad1	0.0024	0.011	0.0116
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0047	0.0405	1
Schistosoma mansoni	transcription factor LCR-F1	0.0108	0.1181	0.1792
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0788	0.9933	1
Brugia malayi	Pre-SET motif family protein	0.0029	0.017	0.0388
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.017	0.0176
Echinococcus multilocularis	isocitrate dehydrogenase	0.0047	0.0405	0.0349
Schistosoma mansoni	vesicular amine transporter	0.0021	0.0062	0.0004
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0793	1	1
Echinococcus multilocularis	potassium voltage gated channel protein	0.0253	0.3057	0.3035
Entamoeba histolytica	hypothetical protein	0.0108	0.1181	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.017	0.0176
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0024	0.011	0.0051
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0024	0.011	0.008
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0325	0.0424
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.006	0.0137
Echinococcus granulosus	survival motor neuron protein 1	0.0248	0.2993	0.4687
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.0405	1
Schistosoma mansoni	hypothetical protein	0.0108	0.1181	0.1792
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.006	0.0137
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.1028	0.2341
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.1443	0.3286
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1329	0.4702
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0405	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.017	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0111	0.0118
Brugia malayi	Isocitrate dehydrogenase	0.0047	0.0405	0.0923
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0047	0.0405	1
Onchocerca volvulus		0.0051	0.0449	0.1441
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0021	0.0062	0.0142
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.2399	0.54
Echinococcus multilocularis	protein patched	0.0041	0.0325	0.0269
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0157	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1329	0.2929
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0062	0.0004
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0449	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1329	0.2929
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0021	0.0062	0.0004
Echinococcus multilocularis	smad	0.0024	0.011	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0325	0.0612
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0021	0.0062	0.0002
Echinococcus granulosus	X box binding protein 1	0.028	0.3398	0.5335
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.006	0.0137
Echinococcus granulosus	tar DNA binding protein	0.0128	0.1443	0.221
Schistosoma mansoni	smad1 5 8 and	0.0024	0.011	0.008
Echinococcus granulosus	expressed conserved protein	0.009	0.0953	0.1427
Brugia malayi	hypothetical protein	0.0108	0.1181	0.2691
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1443	0.221
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.006	0.0137
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0415	0.036
Echinococcus granulosus	potassium voltage gated channel protein	0.0021	0.0062	0.0004
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.1443	0.3193
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0415	0.0568
Brugia malayi	MH1 domain containing protein	0.0024	0.011	0.0251
Echinococcus multilocularis	survival motor neuron protein 1	0.0248	0.2993	0.297
Schistosoma mansoni	hypothetical protein	0.0507	0.6317	1
Echinococcus multilocularis	voltage gated potassium channel	0.0021	0.0062	0.0002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0415	0.0568
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0415	0.082
Brugia malayi	nuclear hormone receptor	0.002	0.006	0.0137
Loa Loa (eye worm)	MH2 domain-containing protein	0.0357	0.439	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.006	0.0137
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.006	0.0137
Echinococcus multilocularis	potassium voltage gated channel protein	0.0021	0.0062	0.0002
Echinococcus multilocularis	transfer RNA-Gly	0.0021	0.0062	0.0002
Onchocerca volvulus		0.023	0.2758	1
Brugia malayi	CHE-14 protein	0.0041	0.0325	0.0741
Echinococcus multilocularis	expressed conserved protein	0.009	0.0953	0.0905
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.1556	0.1515
Trichomonas vaginalis	set domain proteins, putative	0.023	0.2758	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.017	0.0112
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0415	0.0568
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0062	0.0004
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1443	0.221
Schistosoma mansoni	hypothetical protein	0.0507	0.6317	1
Schistosoma mansoni	smad1 5 8 and	0.0024	0.011	0.008
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0405	0.0349
Entamoeba histolytica	hypothetical protein	0.0108	0.1181	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.006	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0029	0.017	0.0255
Schistosoma mansoni	voltage-gated potassium channel	0.0253	0.3057	0.4789
Brugia malayi	MH2 domain containing protein	0.0024	0.011	0.0251
Echinococcus granulosus	potassium voltage gated channel protein	0.0021	0.0062	0.0004
Brugia malayi	TAR-binding protein	0.0128	0.1443	0.3286
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0325	0.0269
Schistosoma mansoni	voltage-gated potassium channel	0.0253	0.3057	0.4789
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0021	0.0062	0.0004
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0047	0.0405	0.0551
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0024	0.011	0.008
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0415	0.0568
Entamoeba histolytica	hypothetical protein	0.0108	0.1181	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.006	0.0137
Brugia malayi	nuclear receptor NHR-88	0.002	0.006	0.0137
Brugia malayi	RNA binding protein	0.0128	0.1443	0.3286
Onchocerca volvulus		0.0029	0.017	0.0409
Echinococcus granulosus	potassium voltage gated channel subfamily C	0.0021	0.0062	0.0004
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.1443	0.14
Brugia malayi	isocitrate dehydrogenase	0.0047	0.0405	0.0923
Echinococcus granulosus	Smad4	0.0024	0.011	0.008
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.0405	1
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.1443	0.3193
Schistosoma mansoni	hypothetical protein	0.004	0.0306	0.0393
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0024	0.011	0.0051
Schistosoma mansoni	hypothetical protein	0.004	0.0306	0.0393
Echinococcus multilocularis	potassium voltage gated channel subfamily C	0.0021	0.0062	0.0002
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0047	0.0405	1
Echinococcus multilocularis	geminin	0.0507	0.6317	0.6337
Echinococcus granulosus	smad	0.0024	0.011	0.008

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Antibacterial activity against Mycobacterium fortuitum	ChEMBL.	16298528
MIC (functional)	0	Antibacterial activity against 10 clinical isolate methicillin-resistant strains of Staphylococcus aureus	ChEMBL.	16298528

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: CHEMBL201948

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 351567