Detailed information for compound 990046

Basic information

Technical information
  • TDR Targets ID: 990046
  • Name: N-(3,5-dibromo-4-hydroxyphenyl)-2-nitrobenzam ide
  • MW: 416.022 | Formula: C13H8Br2N2O4
  • H donors: 2 H acceptors: 4 LogP: 3.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1[N+](=O)[O-])Nc1cc(Br)c(c(c1)Br)O
  • InChi: 1S/C13H8Br2N2O4/c14-9-5-7(6-10(15)12(9)18)16-13(19)8-3-1-2-4-11(8)17(20)21/h1-6,18H,(H,16,19)
  • InChiKey: WCXKEZZFDNCGIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,5-dibromo-4-hydroxy-phenyl)-2-nitro-benzamide

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
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.2332 1 1
Trypanosoma brucei Polypeptide deformylase 1 0.089 0.3761 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0009 0.1381
Plasmodium vivax importin-beta 2, putative 0.0028 0.0032 0.0032
Echinococcus granulosus importin subunit beta 1 0.0028 0.0032 0.0266
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0066 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0032 0.0085
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0009 0.0024
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.089 0.3761 1
Entamoeba histolytica hypothetical protein 0.0023 0.0009 0.1381
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0179 0.1488
Loa Loa (eye worm) inositol-1 0.0036 0.0066 0.0546
Schistosoma mansoni hypothetical protein 0.0299 0.1206 1
Brugia malayi Inositol-1 0.0036 0.0066 0.2573
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0032 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0113 0.0938
Toxoplasma gondii hypothetical protein 0.2332 1 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0009 0.0024
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0066 0.0175
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0113 0.0938
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0066 0.0175
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0179 0.0179
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0179 0.0114
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0179 0.0114
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0179 0.0477
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0066 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0032 0.0266
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0113 0.0938
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0009 0.1381
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0179 0.1488
Trypanosoma brucei Peptide deformylase 2 0.089 0.3761 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.089 0.3761 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0032 0.0085
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0113 0.0938
Mycobacterium ulcerans peptide deformylase 0.2332 1 1
Plasmodium falciparum peptide deformylase 0.2332 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0032 0.0266
Brugia malayi Importin beta-1 subunit 0.0028 0.0032 0.1253
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.2332 1 1
Leishmania major polypeptide deformylase-like protein, putative 0.089 0.3761 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.089 0.3761 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0066 0.0546
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.1206 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0179 0.1488
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0113 0.4425
Plasmodium vivax peptide deformylase, putative 0.2332 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0066 1
Schistosoma mansoni importin beta-1 0.0028 0.0032 0.0266
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0113 0.0938
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0009 0.1381
Plasmodium falciparum importin beta, putative 0.0028 0.0032 0.0032
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0113 0.0938
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0179 0.0114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0113 0.0938
Treponema pallidum polypeptide deformylase (def) 0.2332 1 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0066 1
Brugia malayi RNA, U transporter 1 0.008 0.0256 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0066 0.0066
Schistosoma mansoni inositol monophosphatase 0.0036 0.0066 0.0546
Trypanosoma cruzi Peptide deformylase 2, putative 0.089 0.3761 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0179 0.0131
Echinococcus granulosus snurportin 1 0.0299 0.1206 1
Echinococcus multilocularis snurportin 1 0.0299 0.1206 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0066 0.0546
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.2332 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0179 0.1488
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0066 0.0175
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0113 0.0938
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0066 0.0175
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0066 0.0546
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 3 % Inhibition of wild type TTR aggregation expressed in Escherichia coli assessed as fibril formation at 7.2 uM after 72 hrs relative to untreated-control ChEMBL. 19191553
Inhibition (binding) = 10 % Inhibition of COX1 assessed as inhibition of arachidonic acid conversion to prostaglandin-E2 release at 10 uM ChEMBL. 19191553

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

Bibliographic References

1 literature reference was collected for this gene.

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