TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 429.267 | Formula: C19H17BrN4O3
H donors: 3 H acceptors: 3 LogP: 3.1 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C/c1cc(Br)ccc1O
InChi: 1S/C19H17BrN4O3/c1-2-27-15-6-3-12(4-7-15)16-10-17(23-22-16)19(26)24-21-11-13-9-14(20)5-8-18(13)25/h3-11,25H,2H2,1H3,(H,22,23)(H,24,26)/b21-11+
InChiKey: QWQGNTGBHPDSDG-SRZZPIQSSA-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	guanine nucleotide binding protein Gs subunit	0.0046	0.019	0.0296
Brugia malayi	MH2 domain containing protein	0.0117	0.062	0.315
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0299	0.173	0.9359
Brugia malayi	hypothetical protein	0.0156	0.0858	0.4477
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.001	0.002
Plasmodium vivax	kinesin-5	0.0132	0.071	1
Schistosoma mansoni	hypothetical protein	0.0095	0.0485	0.092
Schistosoma mansoni	hypothetical protein	0.002	0.0032	0.006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.019	0.018
Mycobacterium tuberculosis	Conserved protein	0.0107	0.0561	0.0735
Schistosoma mansoni	cellular tumor antigen P53	0.0099	0.0514	0.0975
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0239	0.1018
Echinococcus multilocularis	musashi	0.0054	0.0239	0.0229
Schistosoma mansoni	zinc finger protein	0.0019	0.0025	0.0048
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0014	0.002
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0561	0.3002
Giardia lamblia	Kinesin-5	0.0132	0.071	0.5
Brugia malayi	Bromodomain containing protein	0.0073	0.0356	0.167
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.019	0.0361
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0239	0.1247
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0299	0.173	0.9359
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0298	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0858	0.4618
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.001	0.002
Echinococcus multilocularis	kinesin family 1	0.1013	0.6073	0.6069
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0318	0.1845	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0685	0.4078	1
Mycobacterium tuberculosis	Conserved protein	0.0107	0.0561	0.0735
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0239	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0062	0.0282
Trypanosoma brucei	hypothetical protein, conserved	0.0107	0.0561	1
Echinococcus multilocularis	zinc finger protein	0.0019	0.0025	0.0015
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0095	0.0485	0.0783
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0107	0.0561	0.1065
Brugia malayi	Kinesin motor domain containing protein	0.0132	0.071	0.3649
Schistosoma mansoni	hypothetical protein	0.0095	0.0485	0.092
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0561	0.3002
Schistosoma mansoni	hypothetical protein	0.0881	0.5273	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0107	0.0561	0.1065
Trichomonas vaginalis	penicillin-binding protein, putative	0.0107	0.0561	0.5
Echinococcus multilocularis	tumor protein p63	0.0679	0.4045	0.4039
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0561	0.3002
Schistosoma mansoni	hypothetical protein	0.0095	0.0485	0.092
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0107	0.0561	0.0735
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0298	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0561	0.3002
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0298	0.0566
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0107	0.0561	0.0551
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0265	0.0419
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0265	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0561	0.3002
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0095	0.0485	0.0475
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0298	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0239	0.1247
Mycobacterium ulcerans	esterase/lipase LipP	0.0107	0.0561	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.0561	1
Onchocerca volvulus		0.0099	0.0514	0.4446
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0032	0.0116
Schistosoma mansoni	lamin	0.0054	0.0239	0.0454
Echinococcus granulosus	lamin	0.0054	0.0239	0.0377
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0239	0.0454
Mycobacterium tuberculosis	Probable lipase LipD	0.0107	0.0561	0.0735
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0107	0.0561	0.0735
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0107	0.0561	0.0735
Onchocerca volvulus		0.0107	0.0561	0.5207
Schistosoma mansoni	lamin	0.0054	0.0239	0.0454
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.019	0.0979
Echinococcus granulosus	tumor protein p63	0.0679	0.4045	0.6654
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0043	0.0082
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.019	0.0743
Leishmania major	hypothetical protein, conserved	0.0107	0.0561	1
Echinococcus granulosus	kinesin family 1	0.1013	0.6073	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0043	0.0054
Mycobacterium ulcerans	beta-lactamase	0.0107	0.0561	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0107	0.0561	0.0909
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0132	0.071	0.3811
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.0561	0.5
Schistosoma mansoni	kinesin eg-5	0.0132	0.071	0.1346
Loa Loa (eye worm)	hypothetical protein	0.004	0.0152	0.077
Mycobacterium tuberculosis	Probable hydrolase	0.0107	0.0561	0.0735
Mycobacterium ulcerans	hypothetical protein	0.0107	0.0561	1
Mycobacterium ulcerans	lipase LipD	0.0107	0.0561	1
Plasmodium falciparum	kinesin-5	0.0132	0.071	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0062	0.0282
Toxoplasma gondii	kinesin motor domain-containing protein	0.0132	0.071	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.0561	0.5
Echinococcus granulosus	GPCR family 2	0.0095	0.0485	0.0783
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0298	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0068	0.0315
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.001	0.002
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0095	0.0485	0.0783
Mycobacterium leprae	conserved hypothetical protein	0.0107	0.0561	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.0561	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0163	0.0832
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0095	0.0485	0.0475
Trichomonas vaginalis	penicillin-binding protein, putative	0.0107	0.0561	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0068	0.0095
Brugia malayi	RNA binding protein	0.0064	0.0298	0.1348
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.019	0.0361
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0107	0.0561	1
Brugia malayi	beta-lactamase	0.0107	0.0561	0.2819
Toxoplasma gondii	ABC1 family protein	0.0107	0.0561	0.6529
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0298	0.1569
Onchocerca volvulus		0.0156	0.0858	1
Loa Loa (eye worm)	STAT protein	0.0318	0.1845	1
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0298	0.1569
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0123	0.0113
Onchocerca volvulus		0.0107	0.0561	0.5207
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1154	0.6233
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.019	0.0296
Mycobacterium tuberculosis	Probable esterase LipL	0.0107	0.0561	0.0735
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0282	0.0535
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0298	0.0566
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.062	0.3325
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0123	0.0186
Onchocerca volvulus		0.0107	0.0561	0.5207
Mycobacterium leprae	Probable lipase LipE	0.0107	0.0561	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0107	0.0561	0.0735
Echinococcus granulosus	lamin dm0	0.0054	0.0239	0.0377
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.019	0.0361
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.019	0.018
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0298	0.1569
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0107	0.0561	0.2819
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0095	0.0485	0.2393
Echinococcus granulosus	zinc finger protein	0.0019	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0561	0.3002
Brugia malayi	beta-lactamase family protein	0.0107	0.0561	0.2819
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0086	0.016
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.0561	1
Brugia malayi	Bromodomain containing protein	0.0037	0.0137	0.0446
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0282	0.5028
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0485	0.2588
Brugia malayi	Latrophilin receptor protein 2	0.0095	0.0485	0.2393
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0299	0.173	0.9375
Schistosoma mansoni	hypothetical protein	0.0095	0.0485	0.092
Mycobacterium tuberculosis	Conserved protein	0.0107	0.0561	0.0735
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0107	0.0561	0.3002
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0282	0.0535
Entamoeba histolytica	kinesin, putative	0.0132	0.071	0.5
Schistosoma mansoni	hypothetical protein	0.0205	0.1154	0.2189
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0298	0.1348
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0298	0.0566
Echinococcus granulosus	intermediate filament protein	0.0054	0.0239	0.0377
Brugia malayi	intermediate filament protein	0.0054	0.0239	0.1018
Brugia malayi	latrophilin 2 splice variant baaae	0.0205	0.1154	0.6135
Loa Loa (eye worm)	hypothetical protein	0.0069	0.033	0.1744
Trichomonas vaginalis	esterase, putative	0.0107	0.0561	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0282	0.0272
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0095	0.0485	0.2588
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0068	0.0058
Loa Loa (eye worm)	beta-lactamase	0.0107	0.0561	0.3002
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0138	0.0693
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0286	0.0542
Echinococcus multilocularis	lamin dm0	0.0054	0.0239	0.0229
Brugia malayi	beta-lactamase family protein	0.0107	0.0561	0.2819
Echinococcus multilocularis	GPCR, family 2	0.0095	0.0485	0.0475
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.001	0.002
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.062	0.3325
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0514	0.2746
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0086	0.0411
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0282	0.0448
Brugia malayi	TAR-binding protein	0.0064	0.0298	0.1348
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0233	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0299	0.173	0.9375
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0043	0.0033
Echinococcus multilocularis	lamin	0.0054	0.0239	0.0229

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 658015