TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 307.143 | Formula: C13H11BrN2O2
H donors: 3 H acceptors: 2 LogP: 3.52 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)N/N=C/c1ccc(cc1O)O
InChi: 1S/C13H11BrN2O2/c14-10-2-4-11(5-3-10)16-15-8-9-1-6-12(17)7-13(9)18/h1-8,16-18H/b15-8+
InChiKey: HZESZHLHPBZHAJ-OVCLIPMQSA-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
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0356	1
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0383	0.2713	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0014	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.0237	0.1042
Echinococcus granulosus	peroxidasin	0.0051	0.0237	0.0893
Brugia malayi	ecdysteroid receptor	0.0022	0.0014	0.0063
Brugia malayi	Peroxidasin	0.0051	0.0237	0.1042
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0356	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0014	0.0063
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0144	0.0519
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0014	0.0063
Brugia malayi	Cytochrome P450 family protein	0.003	0.0079	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0014	0.0063
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0356	1
Onchocerca volvulus		0.0324	0.2276	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0144	0.0519
Schistosoma mansoni	hypothetical protein	0.0185	0.1237	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Echinococcus multilocularis	peroxidasin	0.0051	0.0237	0.0893
Echinococcus multilocularis	geminin	0.0185	0.1237	0.4898
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0014	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0014	0.0063
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0014	0.0063
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0244	0.1074
Mycobacterium leprae	PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA	0.0974	0.7139	1
Schistosoma mansoni	peroxidasin	0.0051	0.0237	0.1823
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0356	0.1564
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA	0.0974	0.7139	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0244	0.1074
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0356	0.1369
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.0237	0.1042
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0356	1
Loa Loa (eye worm)	hypothetical protein	0.0324	0.2276	1
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.1357	1	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0014	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0014	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0014	0.0063
Brugia malayi	steroid hormone receptor	0.0022	0.0014	0.0063
Trichomonas vaginalis	MYB, putative	0.003	0.0073	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0241	0.106
Giardia lamblia	Myb 1-like protein	0.003	0.0073	0.5
Trichomonas vaginalis	r2r3-MYB transcription factor, putative	0.003	0.0073	1
Brugia malayi	nuclear hormone receptor	0.0022	0.0014	0.0063
Onchocerca volvulus		0.0051	0.0237	0.0986
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0356	0.1564
Brugia malayi	Pax transcription factor protein 2	0.0253	0.1745	0.767
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0014	0.0063
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0241	0.1856
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0244	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0014	0.0063
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.0237	0.1042
Brugia malayi	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.012	0.0528
Onchocerca volvulus	Peroxidase homolog	0.0051	0.0237	0.0986
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0244	0.1074
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0014	0.0063
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0751	0.3299
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0014	0.0063
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.1357	1	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0014	0.0063
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0383	0.2713	0.2713
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.0237	0.1042
Onchocerca volvulus	Peroxidase homolog	0.0051	0.0237	0.0986
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.0237	0.1042
Schistosoma mansoni	hypothetical protein	0.0036	0.012	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0014	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Onchocerca volvulus		0.0051	0.0237	0.0986
Brugia malayi	Blistered cuticle protein 3	0.0051	0.0237	0.1042
Loa Loa (eye worm)	pax transcription factor protein 2	0.0253	0.1745	0.767
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0014	0.0063
Onchocerca volvulus	Chorion peroxidase homolog	0.0051	0.0237	0.0986
Brugia malayi	MH2 domain containing protein	0.012	0.0751	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0036	0.012	0.0528
Onchocerca volvulus		0.0052	0.0241	0.1004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0014	0.0063
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0356	0.2794
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0014	0.0063
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.0237	0.1042
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0751	0.3299
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0079	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0014	0.0063
Onchocerca volvulus		0.0253	0.1745	0.7655
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.0237	0.1042
Echinococcus multilocularis	tumor protein p63	0.0355	0.251	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0051	0.0237	0.1042
Schistosoma mansoni	peroxidasin	0.0051	0.0237	0.1823
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0014	0.0063
Onchocerca volvulus	Peroxidasin homolog	0.0051	0.0237	0.0986
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.0237	0.1042
Onchocerca volvulus		0.0051	0.0237	0.0986
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0014	0.0063
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0356	0.1369
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.1357	1	0.5
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.0356	1
Brugia malayi	hypothetical protein	0.0324	0.2276	1
Schistosoma mansoni	hypothetical protein	0.0185	0.1237	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0014	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Onchocerca volvulus	Peroxidasin homolog	0.0051	0.0237	0.0986
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0014	0.0063
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0014	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0014	0.0063
Onchocerca volvulus	Dual oxidase homolog	0.0051	0.0237	0.0986
Echinococcus granulosus	geminin	0.0185	0.1237	0.4898
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.0237	0.1042
Echinococcus granulosus	tumor protein p63	0.0355	0.251	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0237	0.1042
Trichomonas vaginalis	r2r3-MYB transcription factor, putative	0.003	0.0073	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 521 uM	Inhibitory concentration against phosphoylation of angiotensin I catalyzed by protein-tyrosine kinase p56lck	ChEMBL.	No reference
IC50 (binding)	= 521 uM	Inhibitory concentration against phosphoylation of angiotensin I catalyzed by protein-tyrosine kinase p56lck	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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 113621