Detailed information for compound 1318609

Basic information

Technical information
  • TDR Targets ID: 1318609
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methylimid azo[1,2-a]pyridine-2-carboxamide
  • MW: 339.388 | Formula: C19H21N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)c2cn3c(n2)cc(cc3)C)ccc1OC
  • InChi: 1S/C19H21N3O3/c1-13-7-9-22-12-15(21-18(22)10-13)19(23)20-8-6-14-4-5-16(24-2)17(11-14)25-3/h4-5,7,9-12H,6,8H2,1-3H3,(H,20,23)
  • InChiKey: QXLMPCHBIWUAMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-imidazo[1,2-a]pyridine-2-carboxamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-imidazo[1,2-a]pyridinecarboxamide
  • ZINC00928619
  • TULIP024875
  • ASN 04372678
  • MLS000856046
  • SMR000286491

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1026 0.1137
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.1671 0.5
Echinococcus multilocularis dna polymerase kappa 0.0042 0.1671 0.158
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.1671 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1026 0.1137
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.119 0.1094
Echinococcus granulosus dna polymerase eta 0.0067 0.3353 0.328
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2997 0.292
Echinococcus multilocularis lamin dm0 0.0033 0.1026 0.0928
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1609 0.1783
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1671 0.1463
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0109 0.012
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2997 0.332
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.1383 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1907 0.2112
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.1671 0.1852
Loa Loa (eye worm) hypothetical protein 0.015 0.9026 1
Echinococcus multilocularis dna polymerase eta 0.0067 0.3353 0.328
Loa Loa (eye worm) hypothetical protein 0.006 0.2902 0.3215
Echinococcus granulosus intermediate filament protein 0.0033 0.1026 0.0928
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.1671 0.1852
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1907 0.1818
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Giardia lamblia DINP protein human, muc B family 0.0042 0.1671 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2902 0.3215
Leishmania major DNA polymerase kappa, putative 0.0042 0.1671 0.1463
Loa Loa (eye worm) hypothetical protein 0.0041 0.1609 0.1783
Brugia malayi TAR-binding protein 0.0062 0.2997 0.332
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1907 0.1818
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Brugia malayi MH2 domain containing protein 0.0119 0.6883 0.7625
Onchocerca volvulus 0.015 0.9026 1
Brugia malayi RNA binding protein 0.0062 0.2997 0.332
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.1671 0.3452
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.1671 0.3452
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.1671 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0067 0.3353 1
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.1671 0.5
Leishmania major DNA polymerase eta, putative 0.0067 0.3353 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.1671 0.158
Trypanosoma brucei unspecified product 0.0042 0.1671 0.3452
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1671 0.1463
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.1671 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.1671 0.1463
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2902 0.3215
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1026 0.1137
Schistosoma mansoni DNA polymerase eta 0.0067 0.3353 0.328
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.1671 0.158
Echinococcus multilocularis musashi 0.0033 0.1026 0.0928
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1907 0.1818
Brugia malayi ImpB/MucB/SamB family protein 0.0067 0.3353 0.3715
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2997 0.292
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2997 0.292
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2902 0.3215
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.3353 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0109 0.012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1907 0.1818
Schistosoma mansoni hypothetical protein 0.0041 0.1609 0.1517
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1671 0.1463
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.1671 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2997 0.332
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.1671 1
Brugia malayi intermediate filament protein 0.0033 0.1026 0.1137
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0109 0.012
Echinococcus granulosus lamin 0.0033 0.1026 0.0928
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Loa Loa (eye worm) hypothetical protein 0.0032 0.0986 0.1092
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2997 0.292
Echinococcus granulosus tar DNA binding protein 0.0062 0.2997 0.292
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1907 0.1818
Echinococcus granulosus lamin dm0 0.0033 0.1026 0.0928
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.6883 0.7625
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2997 0.292
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.1671 0.3452
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.119 0.1094
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2997 0.332
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0109 0.012
Loa Loa (eye worm) RNA binding protein 0.0062 0.2997 0.332
Schistosoma mansoni lamin 0.0033 0.1026 0.0928
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.1671 0.158
Schistosoma mansoni hypothetical protein 0.0165 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Echinococcus multilocularis lamin 0.0033 0.1026 0.0928
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.1671 0.158
Brugia malayi hypothetical protein 0.0035 0.119 0.1319
Echinococcus multilocularis geminin 0.0165 1 1
Schistosoma mansoni hypothetical protein 0.0165 1 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.1026 0.0928
Brugia malayi hypothetical protein 0.015 0.9026 1
Schistosoma mansoni lamin 0.0033 0.1026 0.0928
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2997 0.292
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1671 0.1463
Echinococcus granulosus dna polymerase kappa 0.0042 0.1671 0.158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1907 0.1818
Schistosoma mansoni hypothetical protein 0.0035 0.119 0.1094
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1671 0.3452
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1026 0.1137
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.6883 0.7625
Loa Loa (eye worm) hypothetical protein 0.0067 0.3353 0.3715
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1907 0.2112
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1907 0.1818
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.119 0.1094

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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