Detailed information for compound 1531086

Basic information

Technical information
  • TDR Targets ID: 1531086
  • Name: 3-bromo-4-methoxy-N-(pyridin-3-ylmethyl)benza mide
  • MW: 321.169 | Formula: C14H13BrN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Br)C(=O)NCc1cccnc1
  • InChi: 1S/C14H13BrN2O2/c1-19-13-5-4-11(7-12(13)15)14(18)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H,17,18)
  • InChiKey: WCTWWMCMNKBESQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-bromo-4-methoxy-N-(3-pyridylmethyl)benzamide
  • ZINC00306577
  • SMR000142012
  • 3-bromo-4-methoxy-N-(3-pyridinylmethyl)benzamide
  • MLS000534575
  • Oprea1_631460

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0073 0.07 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0041 0.0251 0.0746
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0132 0.012
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0073 0.07 1
Brugia malayi glutathione reductase 0.0041 0.0251 0.0746
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0132 0.012
Schistosoma mansoni microtubule-associated protein tau 0.0747 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0073 0.07 0.0688
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0234 0.292 0.8672
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0051 0.0386 0.1066
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 0.1653
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Loa Loa (eye worm) glutathione reductase 0.0041 0.0251 0.0663
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0048 0.035 0.4996
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0073 0.07 0.0688
Loa Loa (eye worm) hypothetical protein 0.0046 0.0326 0.0886
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0416 0.0405
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0093 0.0976 0.3258
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0073 0.07 0.0688
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0048 0.035 0.2193
Mycobacterium ulcerans L-lysine aminotransferase 0.0234 0.292 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0416 0.0405
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0681 0.067
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0073 0.07 0.0688
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0517 0.1535
Brugia malayi NNMT/PNMT/TEMT family protein 0.0267 0.3367 1
Brugia malayi Thioredoxin reductase 0.0041 0.0251 0.0746
Schistosoma mansoni bromodomain containing protein 0.0076 0.0741 0.0729
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0155 0.182 0.6185
Brugia malayi Pre-SET motif family protein 0.0225 0.2797 0.8305
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0259 0.0247
Schistosoma mansoni hypothetical protein 0.0041 0.0254 0.0242
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0073 0.07 0.0688
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0132 0.012
Schistosoma mansoni hypothetical protein 0.0025 0.003 0.0018
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0073 0.07 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0048 0.035 0.096
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0234 0.292 1
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.0251 0.0663
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0073 0.07 0.2078
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0259 0.0247
Mycobacterium tuberculosis Probable dehydrogenase 0.0093 0.0976 0.3258
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0316 0.4054 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0073 0.07 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0073 0.07 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 0.1653
Toxoplasma gondii thioredoxin reductase 0.0041 0.0251 0.21
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0062 0.005
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0062 0.005
Giardia lamblia Fructose-bisphosphate aldolase 0.0316 0.4054 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0073 0.07 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0285 0.0273
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.0251 0.3591
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0048 0.035 0.2193
Loa Loa (eye worm) hypothetical protein 0.0052 0.0397 0.11
Brugia malayi Bromodomain containing protein 0.0046 0.0324 0.0963
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0073 0.07 1
Brugia malayi PHD-finger family protein 0.003 0.0101 0.03
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.2797 0.829
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0267 0.3367 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0073 0.07 0.0945
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0365 0.1004
Treponema pallidum fructose-bisphosphate aldolase 0.0316 0.4054 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 0.1653
Loa Loa (eye worm) hypothetical protein 0.0085 0.0865 0.2502
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0025 0.0036 0.0106
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0254 0.0754
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0073 0.07 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0093 0.0976 0.5267
Plasmodium vivax glutathione reductase, putative 0.0041 0.0251 0.21
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0073 0.07 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0048 0.035 0.096
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0073 0.07 0.0688
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0104 0.112 0.6074
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0048 0.035 0.0338
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0517 0.146
Trichomonas vaginalis set domain proteins, putative 0.0256 0.3226 0.794
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0073 0.07 0.0688
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Brugia malayi Pre-SET motif family protein 0.0032 0.0132 0.0392
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0073 0.07 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0073 0.07 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0681 0.067
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 1
Loa Loa (eye worm) hypothetical protein 0.0267 0.3367 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0048 0.035 0.0338
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0073 0.07 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0073 0.07 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.0251 0.21
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0048 0.035 0.0783
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0116 0.0104
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0051 0.0386 0.1066
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0073 0.07 0.0688
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0104 0.112 0.3757
Loa Loa (eye worm) hypothetical protein 0.006 0.0517 0.146
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0093 0.0976 0.3258
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0093 0.0976 0.3258
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0093 0.0976 0.3258
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0048 0.035 0.0783
Mycobacterium tuberculosis Probable reductase 0.0093 0.0976 0.3258
Echinococcus multilocularis microtubule associated protein 2 0.0747 1 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0048 0.035 0.4996
Mycobacterium tuberculosis Probable oxidoreductase 0.0104 0.112 0.3757
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0155 0.182 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0416 0.1158
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0316 0.4054 1
Loa Loa (eye worm) hypothetical protein 0.0267 0.3367 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 0.1653
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0316 0.4054 1
Brugia malayi Bromodomain containing protein 0.0091 0.0936 0.278
Loa Loa (eye worm) hypothetical protein 0.0041 0.0254 0.0672
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0285 0.0273
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 0.1653
Loa Loa (eye worm) hypothetical protein 0.0048 0.035 0.096
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0416 0.0405
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0517 0.1535
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0073 0.07 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0073 0.07 1
Onchocerca volvulus 0.0256 0.3226 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0155 0.182 0.5045
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0416 0.0405
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0062 0.005
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0104 0.112 0.3757

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

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