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
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 |
|---|---|---|---|---|
| Onchocerca volvulus | Hydroxyacylglutathione hydrolase, mitochondrial homolog | 0.0156 | 1 | 0.5 |
| Trypanosoma cruzi | glyoxalase II | 0.0156 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0156 | 1 | 0.5 |
| Trypanosoma brucei | FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative | 0.0053 | 0.0904 | 0.0904 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0156 | 1 | 1 |
| Leishmania major | target of rapamycin (TOR) kinase 2, putative | 0.0128 | 0.7511 | 0.7511 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0156 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | A-type flavoprotein | 0.0156 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0156 | 1 | 1 |
| Trypanosoma brucei | phosphatidylinositol 4-kinase, putative | 0.0128 | 0.7511 | 0.7511 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0156 | 1 | 1 |
| Echinococcus granulosus | zinc phosphodiesterase | 0.0156 | 1 | 1 |
| Mycobacterium ulcerans | beta lactamase-like protein | 0.0156 | 1 | 0.5 |
| Treponema pallidum | ribonuclease Z | 0.0156 | 1 | 0.5 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0156 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | metallo-beta-lactamase superfamily hydrolase | 0.0156 | 1 | 0.5 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0102 | 0.5199 | 0.5199 |
| Chlamydia trachomatis | ribonuclease Z | 0.0156 | 1 | 0.5 |
| Trypanosoma cruzi | target of rapamycin kinase 3 | 0.0102 | 0.5208 | 0.5208 |
| Brugia malayi | metallo-beta-lactamase superfamily protein | 0.0156 | 1 | 1 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0156 | 1 | 0.5 |
| Plasmodium vivax | unspecified product | 0.0156 | 1 | 0.5 |
| Leishmania major | target of rapamycin (TOR) kinase 1, putative | 0.0128 | 0.7511 | 0.7511 |
| Leishmania major | metallo-beta-lactamase family-like protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0102 | 0.5199 | 0.5199 |
| Trypanosoma brucei | target of rapamycin kinase 3, putative | 0.0102 | 0.5208 | 0.5208 |
| Trichomonas vaginalis | disulfide oxidoreductase, putative | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0095 | 0.4615 | 0.4615 |
| Echinococcus granulosus | ETHE1 protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0076 | 0.2963 | 0.2963 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0156 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0156 | 1 | 0.5 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0156 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0156 | 1 | 1 |
| Echinococcus granulosus | hydroxyacylglutathione hydrolase | 0.0156 | 1 | 1 |
| Trypanosoma brucei | cleavage and polyadenylation specificity factor subunit, putative | 0.0156 | 1 | 1 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase cytoplasmic | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0156 | 1 | 1 |
| Schistosoma mansoni | ataxia telangiectasia mutated (atm)-related | 0.0128 | 0.7511 | 0.7511 |
| Schistosoma mansoni | hypothetical protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0156 | 1 | 1 |
| Onchocerca volvulus | 0.0156 | 1 | 0.5 | |
| Brugia malayi | Phosphatidylinositol 3- and 4-kinase family protein | 0.0128 | 0.7511 | 0.7511 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0095 | 0.4615 | 0.4615 |
| Mycobacterium ulcerans | hydrolase | 0.0156 | 1 | 0.5 |
| Trypanosoma brucei | Phosphatidylinositol 3-kinase tor1 | 0.0128 | 0.7511 | 0.7511 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0086 | 0.3791 | 0.3791 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0095 | 0.4615 | 0.4615 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0156 | 1 | 1 |
| Echinococcus granulosus | FKBP12 rapamycin complex associated protein | 0.0128 | 0.7511 | 0.7511 |
| 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 |
| Mycobacterium ulcerans | glyoxalase II, GloB | 0.0156 | 1 | 0.5 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0076 | 0.2963 | 0.2963 |
| Loa Loa (eye worm) | metallo-beta-lactamase superfamily protein | 0.0156 | 1 | 1 |
| Echinococcus multilocularis | FKBP12 rapamycin complex associated protein | 0.0128 | 0.7511 | 0.7511 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0128 | 0.7511 | 0.7511 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0095 | 0.4615 | 0.4615 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0156 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0156 | 1 | 0.5 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0156 | 1 | 1 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase | 0.0156 | 1 | 1 |
| Mycobacterium leprae | Beta-lactamase-like protein | 0.0156 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0156 | 1 | 0.5 |
| Trypanosoma cruzi | Phosphatidylinositol 3-kinase tor1 | 0.0128 | 0.7511 | 0.7511 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0156 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0156 | 1 | 1 |
| Brugia malayi | Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. | 0.0156 | 1 | 1 |
| Mycobacterium tuberculosis | Beta lactamase like protein | 0.0156 | 1 | 0.5 |
| Mycobacterium tuberculosis | Conserved protein | 0.0156 | 1 | 0.5 |
| Mycobacterium ulcerans | hydrolase | 0.0156 | 1 | 0.5 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0076 | 0.2896 | 0.2896 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0156 | 1 | 1 |
| 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 |
| Trypanosoma brucei | glyoxalase II | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0095 | 0.4615 | 0.4615 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0156 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0156 | 1 | 0.5 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0083 | 0.3547 | 0.3547 |
| Trypanosoma brucei | phosphatidylinositol 3-kinase tor, putative | 0.0061 | 0.1555 | 0.1555 |
| Toxoplasma gondii | metallo-beta-lactamase domain-containing protein | 0.0156 | 1 | 1 |
| Echinococcus multilocularis | ETHE1 protein | 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 | 0.2312 | 0.2312 |
| Leishmania major | cleavage and polyadenylation specificity factor, putative | 0.0156 | 1 | 1 |
| Leishmania major | target of rapamycin kinase (TOR) kinase 3 | 0.0102 | 0.5208 | 0.5208 |
| Trypanosoma brucei | hydroxyacylglutathione hydrolase, putative | 0.0156 | 1 | 1 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0156 | 1 | 0.5 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0156 | 1 | 1 |
| Onchocerca volvulus | Putative hydrolase PNKD | 0.0156 | 1 | 0.5 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0156 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0069 | 0.2303 | 0.2303 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0069 | 0.2303 | 0.2303 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0069 | 0.2303 | 0.2303 |
| Loa Loa (eye worm) | hypothetical protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0156 | 1 | 1 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0156 | 1 | 1 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0156 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0156 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0156 | 1 | 0.5 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0069 | 0.2312 | 0.2312 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0128 | 0.7511 | 0.7511 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0156 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0128 | 0.7511 | 0.7511 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0095 | 0.4615 | 0.4615 |
| Trypanosoma cruzi | Phosphatidylinositol 3-kinase tor2 | 0.0128 | 0.7511 | 0.7511 |
| Mycobacterium ulcerans | Zn-dependent glyoxylase | 0.0156 | 1 | 0.5 |
| Trichomonas vaginalis | apoptosis inducing factor, putative | 0.0156 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0156 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 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 |
| Onchocerca volvulus | 0.0156 | 1 | 0.5 | |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0069 | 0.2312 | 0.2312 |
| Toxoplasma gondii | hydroxyacylglutathione hydrolase | 0.0156 | 1 | 1 |
| Plasmodium vivax | hydroxyacyl glutathione hydrolase, putative | 0.0156 | 1 | 0.5 |
| Trypanosoma brucei | metallo-beta-lactamase-like protein, putative | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0156 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0156 | 1 | 0.5 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0102 | 0.5199 | 0.5199 |
| Loa Loa (eye worm) | hypothetical protein | 0.0156 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0156 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0156 | 1 | 1 |
| Schistosoma mansoni | hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) | 0.0156 | 1 | 1 |
| Plasmodium falciparum | cytosolic glyoxalase II | 0.0156 | 1 | 0.5 |
| Leishmania major | hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative | 0.0156 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0156 | 1 | 1 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0156 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0156 | 1 | 0.5 |
| Echinococcus multilocularis | zinc phosphodiesterase | 0.0156 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0156 | 1 | 1 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0156 | 1 | 0.5 |
| Mycobacterium leprae | POSSIBLE HYDROLASE | 0.0156 | 1 | 0.5 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0102 | 0.5199 | 0.5199 |
| Giardia lamblia | Metallo-beta-lactamase superfamily protein | 0.0156 | 1 | 1 |
| Leishmania major | metallo-beta-lactamase family protein-like protein | 0.0156 | 1 | 1 |
| Trypanosoma cruzi | glyoxalase II | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0076 | 0.2896 | 0.2896 |
| Mycobacterium ulcerans | hydrolase | 0.0156 | 1 | 0.5 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0156 | 1 | 1 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0109 | 0.5859 | 0.5859 |
| Trichomonas vaginalis | PIKK family atypical protein kinase | 0.0076 | 0.2963 | 0.2963 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0156 | 1 | 1 |
| Trypanosoma cruzi | glyoxalase II | 0.0156 | 1 | 1 |
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.
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
- ChEMBL: CHEMBL1645405
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.