Detailed information for compound 782559

Basic information

Technical information
  • TDR Targets ID: 782559
  • Name: N-[2-(4-methoxyphenyl)-7-methylimidazo[3,2-a] pyridin-3-yl]-3,4-dimethylbenzamide
  • MW: 385.458 | Formula: C24H23N3O2
  • H donors: 1 H acceptors: 2 LogP: 5.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc2n(c1NC(=O)c1ccc(c(c1)C)C)ccc(c2)C
  • InChi: 1S/C24H23N3O2/c1-15-11-12-27-21(13-15)25-22(18-7-9-20(29-4)10-8-18)23(27)26-24(28)19-6-5-16(2)17(3)14-19/h5-14H,1-4H3,(H,26,28)
  • InChiKey: RTMAJTCEMXIJLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-methoxyphenyl)-7-methyl-imidazo[3,2-a]pyridin-3-yl]-3,4-dimethyl-benzamide
  • N-[2-(4-methoxyphenyl)-7-methyl-3-imidazo[3,2-a]pyridinyl]-3,4-dimethylbenzamide
  • C188-0493
  • NCGC00104815-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Dihydrofolate reductase 0.1877 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.1877 1 1
Brugia malayi thymidylate synthase 0.0097 0.0303 0.0303
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1877 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0097 0.0303 0.0303
Chlamydia trachomatis dihydrofolate reductase 0.1877 1 0.5
Echinococcus multilocularis dihydrofolate reductase 0.1877 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0104 0.0104
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1783 0.9485 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1783 0.9485 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0104 0.0104
Schistosoma mansoni dihydrofolate reductase 0.1877 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0027 0.5
Loa Loa (eye worm) thymidylate synthase 0.0097 0.0303 0.0303
Echinococcus granulosus dihydrofolate reductase 0.1877 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1783 0.9485 0.5
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1877 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1783 0.9485 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0104 0.0104
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1877 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0104 0.0104
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1783 0.9485 0.5
Brugia malayi hypothetical protein 0.0046 0.0027 0.0027
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1783 0.9485 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0097 0.0303 0.0277
Onchocerca volvulus 0.0097 0.0303 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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