Detailed information for compound 135428

Basic information

Technical information
  • TDR Targets ID: 135428
  • Name: 5-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-3 -carboxamide
  • MW: 352.14 | Formula: C13H10BrN3O4
  • H donors: 1 H acceptors: 4 LogP: 2.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cncc(c1)Br
  • InChi: 1S/C13H10BrN3O4/c1-21-10-2-3-11(12(5-10)17(19)20)16-13(18)8-4-9(14)7-15-6-8/h2-7H,1H3,(H,16,18)
  • InChiKey: QSEYQEZVJVUMLR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-(4-methoxy-2-nitro-phenyl)pyridine-3-carboxamide
  • 5-bromo-N-(4-methoxy-2-nitrophenyl)-3-pyridinecarboxamide
  • 5-bromo-N-(4-methoxy-2-nitro-phenyl)nicotinamide
  • Oprea1_214972
  • ZINC03898290

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385

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
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.659 0.6519
Onchocerca volvulus 0.0265 0.7731 0.7731
Onchocerca volvulus Huntingtin homolog 0.0137 0.3191 0.3191
Onchocerca volvulus 0.0329 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0183 0.4805 0.5
Echinococcus granulosus dihydrofolate reductase 0.0053 0.0204 0.0695
Trichomonas vaginalis set domain proteins, putative 0.0265 0.7731 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.013 0.2929 1
Brugia malayi hypothetical protein 0.0062 0.0516 0.0516
Chlamydia trachomatis dihydrofolate reductase 0.0053 0.0204 0.5
Schistosoma mansoni dihydrofolate reductase 0.0053 0.0204 0.0443
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0183 0.4805 1
Trypanosoma brucei ingi protein (ORF1) 0.0051 0.0142 0.0296
Loa Loa (eye worm) hypothetical protein 0.0137 0.3191 0.3049
Mycobacterium tuberculosis Hypothetical protein 0.0062 0.0516 0.1148
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0183 0.4805 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0047 0 0.5
Echinococcus multilocularis dihydrofolate reductase 0.0053 0.0204 0.0695
Giardia lamblia Ribonuclease H 0.0047 0 0.5
Trypanosoma brucei unspecified product 0.0051 0.0142 0.0296
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0183 0.4805 1
Trypanosoma brucei ingi protein (ORF1) 0.0051 0.0142 0.0296
Brugia malayi hypothetical protein 0.0137 0.3191 0.3191
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.3067 0.2923
Brugia malayi Pre-SET motif family protein 0.0233 0.659 0.659
Treponema pallidum ribonuclease H (rnhA) 0.0047 0 0.5
Brugia malayi dihydrofolate reductase family protein 0.0053 0.0204 0.0204
Onchocerca volvulus Huntingtin homolog 0.0137 0.3191 0.3191
Echinococcus multilocularis thymidylate synthase 0.013 0.2929 1
Loa Loa (eye worm) thymidylate synthase 0.013 0.2929 0.2782
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0051 0.0142 0.0296
Trypanosoma brucei RNA helicase, putative 0.0177 0.46 0.9573
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0183 0.4805 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0062 0.0516 0.1074
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.2929 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.2929 0.6367
Loa Loa (eye worm) hypothetical protein 0.0137 0.3191 0.3049
Trypanosoma brucei hypothetical protein, conserved 0.0051 0.0142 0.0296
Loa Loa (eye worm) hypothetical protein 0.0329 1 1
Mycobacterium ulcerans thymidylate synthase 0.013 0.2929 1
Onchocerca volvulus 0.013 0.2929 0.2929
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0516 0.0668
Brugia malayi MH2 domain containing protein 0.0134 0.3067 0.3067
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0183 0.4805 0.5
Brugia malayi Dihydrofolate reductase 0.0053 0.0204 0.0204
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.3067 0.2923
Echinococcus granulosus thymidylate synthase 0.013 0.2929 1
Brugia malayi thymidylate synthase 0.013 0.2929 0.2929
Schistosoma mansoni hypothetical protein 0.0177 0.46 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.4 uM Tested for caspase activation activity in human breast cancer ZR75-1 cells ChEMBL. 12773051
EC50 (functional) = 5.4 uM Tested for caspase activation activity in human breast cancer ZR75-1 cells ChEMBL. 12773051
EC50 (functional) > 10 uM Tested for caspase activation activity in human breast cancer T47D cells ChEMBL. 12773051
EC50 (functional) > 10 uM Tested for caspase activation activity in colorectal DLD-1 cell line ChEMBL. 12773051
EC50 (functional) > 10 uM Tested for caspase activation activity in human breast cancer T47D cells ChEMBL. 12773051
EC50 (functional) > 10 uM Tested for caspase activation activity in colorectal DLD-1 cell line ChEMBL. 12773051

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12773051

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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