Detailed information for compound 1464858

Basic information

Technical information
  • TDR Targets ID: 1464858
  • Name: 5-bromo-N-pyridin-3-ylpyridine-3-carboxamide
  • MW: 278.105 | Formula: C11H8BrN3O
  • H donors: 1 H acceptors: 3 LogP: 1.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cncc(c1)C(=O)Nc1cccnc1
  • InChi: 1S/C11H8BrN3O/c12-9-4-8(5-14-6-9)11(16)15-10-2-1-3-13-7-10/h1-7H,(H,15,16)
  • InChiKey: FHAMEVOECBJOOC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-bromo-N-(3-pyridyl)pyridine-3-carboxamide
  • 5-bromo-N-(3-pyridyl)-3-pyridinecarboxamide
  • 5-bromo-N-(3-pyridyl)nicotinamide
  • 5-bromo-N-pyridin-3-yl-pyridine-3-carboxamide
  • ZINC01507198
  • STOCK6S-41530

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
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0156 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0128 0.7511 0.7511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.2312 0.2312
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.3547 0.3547
Trichomonas vaginalis beta lactamase domain, putative 0.0156 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 1 0.5
Trypanosoma brucei glyoxalase II 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.5859 0.5859
Chlamydia trachomatis ribonuclease Z 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.4615 0.4615
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0156 1 0.5
Trypanosoma cruzi glyoxalase II 0.0156 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0061 0.1555 0.1555
Mycobacterium tuberculosis Possible hydrolase 0.0156 1 0.5
Mycobacterium leprae conserved hypothetical protein 0.0156 1 0.5
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.5199 0.5199
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0156 1 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0156 1 1
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0156 1 1
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0156 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0102 0.5208 0.5208
Mycobacterium leprae POSSIBLE HYDROLASE 0.0156 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.2312 0.2312
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.2312 0.2312
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0156 1 1
Mycobacterium ulcerans hypothetical protein 0.0156 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0156 1 1
Mycobacterium ulcerans hydrolase 0.0156 1 0.5
Trichomonas vaginalis beta lactamase domain, putative 0.0156 1 1
Leishmania major metallo-beta-lactamase family protein-like protein 0.0156 1 1
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0156 1 1
Trichomonas vaginalis A-type flavoprotein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.2312 0.2312
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0156 1 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0156 1 1
Mycobacterium ulcerans hypothetical protein 0.0156 1 0.5
Brugia malayi hypothetical protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.5199 0.5199
Entamoeba histolytica alkyl sulfatase, putative 0.0156 1 1
Onchocerca volvulus 0.0156 1 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0156 1 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0156 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.7511 0.7511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.5199 0.5199
Trypanosoma cruzi glyoxalase II 0.0156 1 1
Trichomonas vaginalis apoptosis inducing factor, putative 0.0156 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0156 1 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0156 1 1
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0156 1 1
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0156 1 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.4615 0.4615
Mycobacterium tuberculosis Conserved protein 0.0156 1 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 1 0.5
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0156 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0128 0.7511 0.7511
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.2896 0.2896
Mycobacterium ulcerans beta lactamase-like protein 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.3791 0.3791
Schistosoma mansoni zinc phosphodiesterase 0.0156 1 1
Onchocerca volvulus 0.0156 1 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0128 0.7511 0.7511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.4615 0.4615
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0128 0.7511 0.7511
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.7511 0.7511
Echinococcus multilocularis ETHE1 protein 0.0156 1 1
Mycobacterium leprae Beta-lactamase-like protein 0.0156 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.2963 0.2963
Leishmania major metallo-beta-lactamase family-like protein 0.0156 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0053 0.0904 0.0904
Onchocerca volvulus Putative hydrolase PNKD 0.0156 1 0.5
Echinococcus multilocularis zinc phosphodiesterase 0.0156 1 1
Mycobacterium tuberculosis Conserved protein 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.4615 0.4615
Trichomonas vaginalis conserved hypothetical protein 0.0156 1 1
Schistosoma mansoni hypothetical protein 0.0156 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0156 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0128 0.7511 0.7511
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0156 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0156 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0128 0.7511 0.7511
Mycobacterium ulcerans hydrolase 0.0156 1 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0128 0.7511 0.7511
Mycobacterium ulcerans Zn-dependent glyoxylase 0.0156 1 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0128 0.7511 0.7511
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0156 1 1
Schistosoma mansoni hypothetical protein 0.0156 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0156 1 1
Trypanosoma cruzi glyoxalase II 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.5199 0.5199
Trichomonas vaginalis conserved hypothetical protein 0.0156 1 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0156 1 0.5
Treponema pallidum ribonuclease Z 0.0156 1 0.5
Entamoeba histolytica alkyl sulfatase, putative 0.0156 1 1
Mycobacterium ulcerans hydrolase 0.0156 1 0.5
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.4615 0.4615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.2303 0.2303
Mycobacterium tuberculosis Beta lactamase like protein 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.7511 0.7511
Mycobacterium tuberculosis Conserved protein 0.0156 1 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0128 0.7511 0.7511
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0156 1 1
Plasmodium vivax unspecified product 0.0156 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0156 1 1
Plasmodium falciparum cytosolic glyoxalase II 0.0156 1 0.5
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0156 1 1
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.2963 0.2963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.2896 0.2896
Echinococcus granulosus ETHE1 protein 0.0156 1 1
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.4615 0.4615
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0156 1 1
Mycobacterium ulcerans glyoxalase II, GloB 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.2303 0.2303
Trichomonas vaginalis beta lactamase domain, putative 0.0156 1 1
Echinococcus granulosus zinc phosphodiesterase 0.0156 1 1
Mycobacterium tuberculosis Possible hydrolase 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.2303 0.2303
Entamoeba histolytica hypothetical protein, conserved 0.0156 1 1
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0156 1 1
Mycobacterium ulcerans hypothetical protein 0.0156 1 0.5
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0156 1 1
Leishmania major hypothetical protein, conserved 0.0156 1 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0156 1 1
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0156 1 1
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.5199 0.5199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.2963 0.2963
Mycobacterium ulcerans hypothetical protein 0.0156 1 0.5
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0102 0.5208 0.5208
Entamoeba histolytica type A flavoprotein, putative 0.0156 1 1
Mycobacterium leprae conserved hypothetical protein 0.0156 1 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0128 0.7511 0.7511
Schistosoma mansoni hypothetical protein 0.0156 1 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.4615 0.4615
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0102 0.5208 0.5208
Schistosoma mansoni zinc phosphodiesterase 0.0156 1 1
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0156 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.7511 0.7511

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0.4 % Inhibition of human steroid-11beta-hydroxylase expressed in chinese hamster V79 cells at 500 nM using 11-deoxycorticosterone as substrate ChEMBL. 21129965
Inhibition (binding) = 29 % Inhibition of human aldosterone synthase expressed in chinese hamster V79 cells at 500 nM using 11-deoxycorticosterone as substrate ChEMBL. 21129965

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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