Detailed information for compound 1591585

Basic information

Technical information
  • TDR Targets ID: 1591585
  • Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(pyridi n-3-ylmethyl)prop-2-enamide
  • MW: 323.346 | Formula: C18H17N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccc(c(c1)OC)OC)/C(=O)NCc1cccnc1
  • InChi: 1S/C18H17N3O3/c1-23-16-6-5-13(9-17(16)24-2)8-15(10-19)18(22)21-12-14-4-3-7-20-11-14/h3-9,11H,12H2,1-2H3,(H,21,22)/b15-8+
  • InChiKey: FYXASDLQZONLGV-OVCLIPMQSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyano-3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
  • (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-pyridylmethyl)prop-2-enamide
  • 2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-pyridylmethyl)prop-2-enamide
  • (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-pyridylmethyl)acrylamide
  • 2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-pyridylmethyl)acrylamide
  • SMR000280888
  • 2-Cyano-3-(3,4-dimethoxy-phenyl)-N-pyridin-3-ylmethyl-acrylamide
  • BAS 00781209
  • ZINC00289130
  • MLS000711121

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
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
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0387 0.7269 0.7271
Mycobacterium ulcerans malate dehydrogenase 0.0422 0.8447 0.5
Entamoeba histolytica malate dehydrogenase, putative 0.0468 1 1
Plasmodium falciparum malate dehydrogenase 0.0468 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Plasmodium vivax malate dehydrogenase, putative 0.0468 1 1
Schistosoma mansoni L-lactate dehydrogenase 0.0468 1 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0387 0.7269 0.7271
Plasmodium falciparum L-lactate dehydrogenase 0.0468 1 1
Toxoplasma gondii malate dehydrogenase MDH 0.0468 1 0.5
Toxoplasma gondii lactate dehydrogenase LDH1 0.0468 1 0.5
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0468 1 1
Echinococcus granulosus lactate dehydrogenase a 0.0468 1 1
Echinococcus granulosus lactate dehydrogenase a 0.0468 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.0468 1 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0422 0.8447 0.8447
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0422 0.8447 0.4314
Echinococcus multilocularis malate dehydrogenase 0.0387 0.7269 0.7269
Leishmania major malate dehydrogenase, putative 0.0468 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0387 0.7269 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Schistosoma mansoni malate dehydrogenase 0.0387 0.7269 0.5347
Schistosoma mansoni malate dehydrogenase 0.0422 0.8447 0.7355
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0468 1 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0422 0.8447 1
Leishmania major cytosolic malate dehydrogenase 0.0422 0.8447 0.7355
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0422 0.8447 1
Echinococcus multilocularis malate dehydrogenase 0.0387 0.7269 0.7269
Plasmodium vivax lactate dehydrogenase 0.0468 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Leishmania major glycosomal malate dehydrogenase 0.0387 0.7269 0.5347
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0422 0.8447 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0387 0.7269 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0422 0.8447 1
Echinococcus multilocularis lactate dehydrogenase a 0.0468 1 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0422 0.8447 0.8447
Loa Loa (eye worm) hypothetical protein 0.0468 1 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0422 0.8447 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0295 0.4129 0.158
Leishmania major mitochondrial malate dehydrogenase 0.0387 0.7269 0.5347
Chlamydia trachomatis malate dehydrogenase 0.0422 0.8447 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Echinococcus multilocularis lactate dehydrogenase protein 0.0468 1 1
Schistosoma mansoni malate dehydrogenase 0.0422 0.8447 0.7355
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0422 0.8447 1
Giardia lamblia Malate dehydrogenase 0.0422 0.8447 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0468 1 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0422 0.8447 1
Schistosoma mansoni malate dehydrogenase 0.0468 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0468 1 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0387 0.7269 0.7271
Echinococcus granulosus L lactate dehydrogenase B chain 0.0468 1 1
Echinococcus granulosus malate dehydrogenase 0.0387 0.7269 0.7269
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0422 0.8447 0.5
Loa Loa (eye worm) malate dehydrogenase 0.0422 0.8447 0.4314
Echinococcus granulosus cytosolic malate dehydrogenase 0.0422 0.8447 0.8447
Echinococcus granulosus lactate dehydrogenase protein 0.0468 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0422 0.8447 1
Echinococcus granulosus malate dehydrogenase 0.0387 0.7269 0.7269
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0387 0.7269 0.7271
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0422 0.8447 0.5
Leishmania major malate dehydrogenase 0.0387 0.7269 0.5347
Echinococcus granulosus cytosolic malate dehydrogenase 0.0422 0.8447 0.8447

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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