Detailed information for compound 1376853

Basic information

Technical information
  • TDR Targets ID: 1376853
  • Name: 4-methoxy-N,N'-di(pyridin-3-yl)benzene-1,3-di carboxamide
  • MW: 348.355 | Formula: C19H16N4O3
  • H donors: 2 H acceptors: 4 LogP: 1.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C(=O)Nc1cccnc1)C(=O)Nc1cccnc1
  • InChi: 1S/C19H16N4O3/c1-26-17-7-6-13(18(24)22-14-4-2-8-20-11-14)10-16(17)19(25)23-15-5-3-9-21-12-15/h2-12H,1H3,(H,22,24)(H,23,25)
  • InChiKey: NZEIEILKCCXLHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methoxy-N,N'-bis(3-pyridyl)benzene-1,3-dicarboxamide
  • 4-methoxy-N,N'-bis(3-pyridyl)isophthalamide
  • SMR000058960
  • MLS000028570

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed 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 Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni bromodomain containing 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0187 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.1501 0.1488
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0187 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0484 0.047
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0187 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.187 0.1858
Loa Loa (eye worm) ceramide glucosyltransferase 0.0982 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0187 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0187 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0187 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0187 0.0172
Loa Loa (eye worm) hypothetical protein 0.0046 0.0215 0.0215
Schistosoma mansoni bromodomain containing protein 0.0076 0.0529 0.0515
Loa Loa (eye worm) hypothetical protein 0.0085 0.0623 0.0623
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0036 0.0109 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0484 0.047
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0187 0.0172
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0187 0.5
Echinococcus granulosus ceramide glucosyltransferase 0.0982 1 1
Schistosoma mansoni ceramide glucosyltransferase 0.0982 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0187 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0187 0.0187
Schistosoma mansoni ceramide glucosyltransferase 0.0982 1 1
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0982 1 1
Echinococcus multilocularis ceramide glucosyltransferase 0.0982 1 1
Loa Loa (eye worm) CYP4Cod1 0.0036 0.0109 0.0109
Giardia lamblia Ceramide glucosyltransferase 0.0445 0.4386 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0187 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0187 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0109 0.0109
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1788 0.1775
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1788 0.1775
Schistosoma mansoni hypothetical protein 0.0205 0.187 0.1858
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1788 0.1788
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0184 0.0169
Brugia malayi Cytochrome P450 family protein 0.0036 0.0109 0.0064
Loa Loa (eye worm) hypothetical protein 0.0049 0.0245 0.0245
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1788 0.1775
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.997 0.997
Loa Loa (eye worm) hypothetical protein 0.0052 0.0269 0.0269
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0187 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1788 0.1751
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0184 0.0169
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0187 0.0143
Trypanosoma brucei glucosidase, putative 0.0044 0.0187 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0109 0.0064
Echinococcus multilocularis geminin 0.0205 0.187 0.1858
Schistosoma mansoni alpha glucosidase 0.0044 0.0187 0.0172
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0187 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0187 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0187 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.0677 0.0635
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0109 0.0109
Schistosoma mansoni alpha-glucosidase 0.0169 0.1501 0.1488
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0187 0.5
Echinococcus granulosus geminin 0.0205 0.187 0.1858
Brugia malayi Bromodomain containing protein 0.0046 0.0214 0.017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.9349 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
Potency (binding) 100 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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