Detailed information for compound 113621

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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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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0324 0.2276 1
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0014 0.0063
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0244 0.1074
Onchocerca volvulus Peroxidase homolog 0.0051 0.0237 0.0986
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0063
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0014 0.0063
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.003 0.0073 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.012 0.0528
Brugia malayi hypothetical protein 0.0051 0.0237 0.1042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0014 0.0063
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) 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
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0014 0.0063
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0144 0.0519
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0063
Onchocerca volvulus Dual oxidase homolog 0.0051 0.0237 0.0986
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0356 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0014 0.0063
Loa Loa (eye worm) blistered cuticle protein 3 0.0051 0.0237 0.1042
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.003 0.0073 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0356 0.1369
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0356 0.2794
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Brugia malayi Animal haem peroxidase family protein 0.0051 0.0237 0.1042
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
Onchocerca volvulus Chorion peroxidase homolog 0.0051 0.0237 0.0986
Onchocerca volvulus Peroxidase homolog 0.0051 0.0237 0.0986
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0014 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0014 0.0063
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0244 0.1074
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Echinococcus granulosus peroxidasin 0.0051 0.0237 0.0893
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1357 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0014 0.0063
Loa Loa (eye worm) animal heme peroxidase 0.0051 0.0237 0.1042
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0244 0.1074
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0356 0.1369
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0063
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1357 1 0.5
Echinococcus granulosus tumor protein p63 0.0355 0.251 1
Brugia malayi hypothetical protein 0.0324 0.2276 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0356 1
Onchocerca volvulus Peroxidasin homolog 0.0051 0.0237 0.0986
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0063
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Schistosoma mansoni hypothetical protein 0.0036 0.012 0.0867
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0014 0.0063
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1357 1 1
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 0.0052 0.0241 0.1004
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0014 0.0063
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0014 0.0063
Loa Loa (eye worm) hypothetical protein 0.0324 0.2276 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0014 0.0063
Loa Loa (eye worm) hypothetical protein 0.0052 0.0241 0.106
Onchocerca volvulus 0.0253 0.1745 0.7655
Onchocerca volvulus 0.0051 0.0237 0.0986
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0356 0.1564
Loa Loa (eye worm) animal heme peroxidase 0.0051 0.0237 0.1042
Brugia malayi Animal haem peroxidase family protein 0.0051 0.0237 0.1042
Schistosoma mansoni peroxidasin 0.0051 0.0237 0.1823
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0063
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0241 0.1856
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0356 0.1564
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0014 0.0063
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0144 0.0519
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0014 0.0063
Brugia malayi ecdysteroid receptor 0.0022 0.0014 0.0063
Schistosoma mansoni peroxidasin 0.0051 0.0237 0.1823
Schistosoma mansoni hypothetical protein 0.0185 0.1237 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0383 0.2713 0.2713
Brugia malayi MH2 domain containing protein 0.012 0.0751 0.3299
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0079 0.0346
Brugia malayi nuclear receptor NHR-88 0.0022 0.0014 0.0063
Brugia malayi Animal haem peroxidase family protein 0.0051 0.0237 0.1042
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0014 0.0063
Brugia malayi 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
Onchocerca volvulus 0.0051 0.0237 0.0986
Brugia malayi Animal haem peroxidase family protein 0.0051 0.0237 0.1042
Brugia malayi nuclear hormone receptor 0.0022 0.0014 0.0063
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0356 1
Echinococcus multilocularis peroxidasin 0.0051 0.0237 0.0893
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0751 0.3299
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0356 1
Echinococcus multilocularis geminin 0.0185 0.1237 0.4898
Giardia lamblia Myb 1-like protein 0.003 0.0073 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0051 0.0237 0.1042
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0751 0.3299
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0356 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0253 0.1745 0.767
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0974 0.7139 0.5
Onchocerca volvulus 0.0051 0.0237 0.0986
Loa Loa (eye worm) hypothetical protein 0.0052 0.0244 0.1074
Loa Loa (eye worm) hypothetical protein 0.0036 0.012 0.0528
Brugia malayi Nuclear hormone receptor family member nhr-3 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 0.0022 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
Brugia malayi Blistered cuticle protein 3 0.0051 0.0237 0.1042
Brugia malayi Pax transcription factor protein 2 0.0253 0.1745 0.767
Brugia malayi steroid hormone receptor 0.0022 0.0014 0.0063
Brugia malayi Peroxidasin 0.0051 0.0237 0.1042
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0014 0.0063
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0014 0.0063
Brugia malayi Cytochrome P450 family protein 0.003 0.0079 0.0346
Echinococcus granulosus geminin 0.0185 0.1237 0.4898
Echinococcus multilocularis tumor protein p63 0.0355 0.251 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0014 0.0063
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0383 0.2713 1
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0974 0.7139 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0014 0.0063
Loa Loa (eye worm) hypothetical protein 0.0051 0.0237 0.1042
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0014 0.0063
Brugia malayi Animal haem peroxidase family protein 0.0051 0.0237 0.1042
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0063

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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