Detailed information for compound 1313110

Basic information

Technical information
  • TDR Targets ID: 1313110
  • Name: N-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)prop -2-enamide
  • MW: 314.336 | Formula: C17H18N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)Nc2cccnc2)cc(c1OC)OC
  • InChi: 1S/C17H18N2O4/c1-21-14-9-12(10-15(22-2)17(14)23-3)6-7-16(20)19-13-5-4-8-18-11-13/h4-11H,1-3H3,(H,19,20)/b7-6+
  • InChiKey: OMQJWADDXOMAFZ-VOTSOKGWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-N-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • (E)-N-(3-pyridyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • N-(3-pyridyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • (E)-N-(3-pyridyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
  • N-(3-pyridyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
  • STK073931
  • MLS001185438
  • SMR000502168
  • ZINC00302756

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
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 carbohydrate phosphorylase 0.0109 0.5272 0.5356
Loa Loa (eye worm) hypothetical protein 0.0041 0.0956 0.0069
Echinococcus granulosus lysosomal alpha glucosidase 0.0181 0.9843 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2166 0.22
Schistosoma mansoni glycogen phosphorylase 0.0109 0.5272 0.6397
Schistosoma mansoni hypothetical protein 0.0041 0.0956 0.116
Schistosoma mansoni alpha-glucosidase 0.0156 0.8241 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0895 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1571 0.1907
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0895 0.0909
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1571 0.1597
Echinococcus granulosus glycogen phosphorylase 0.0109 0.5272 0.5356
Schistosoma mansoni glycogen phosphorylase 0.0047 0.1339 0.1624
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1571 0.1597
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 1 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.9843 1
Mycobacterium tuberculosis Probable aminotransferase 0.0184 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0181 0.9843 1
Loa Loa (eye worm) glycogen phosphorylase 0.0109 0.5272 0.4892
Loa Loa (eye worm) hypothetical protein 0.006 0.2166 0.142
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1571 0.1597
Giardia lamblia Glycogen phosphorylase 0.0109 0.5272 0.5
Trypanosoma brucei glucosidase, putative 0.004 0.0895 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0895 0.0909
Onchocerca volvulus Glycogen phosphorylase homolog 0.0109 0.5272 1
Echinococcus granulosus glycogen phosphorylase 0.0109 0.5272 0.5356
Loa Loa (eye worm) hypothetical protein 0.018 0.9798 0.995
Chlamydia trachomatis glycogen phosphorylase 0.0109 0.5272 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.9843 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 1 1
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0895 0.5
Mycobacterium ulcerans hypothetical protein 0.0184 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0181 0.9843 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0109 0.5272 0.5356
Schistosoma mansoni glycogen phosphorylase 0.0109 0.5272 0.6397
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.1339 0.1015
Loa Loa (eye worm) hypothetical protein 0.018 0.9798 0.995
Echinococcus granulosus Glycosyl transferase family 35 0.0109 0.5272 0.5356
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2166 0.22
Schistosoma mansoni alpha glucosidase 0.004 0.0895 0.1085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1571 0.1597
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0895 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1571 0.1597
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0956 0.0971
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1571 0.1907
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0047 0.1339 0.1339
Schistosoma mansoni alpha-glucosidase 0.0156 0.8241 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0047 0.1339 0.1015
Echinococcus multilocularis muscleblind protein 0.018 0.9798 0.9954
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.5272 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.9798 0.9954
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.5272 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0895 0.0909
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1571 0.1907
Plasmodium falciparum ornithine aminotransferase 0.0026 0 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0895 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1571 0.0756
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2166 0.142
Brugia malayi Muscleblind-like protein 0.018 0.9798 0.9954
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.1339 0.1015
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.5272 0.4808
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0 0.5
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0047 0.1339 0.1339
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.5272 0.5356
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.5272 0.4808
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.5272 0.5356
Echinococcus granulosus muscleblind protein 0.018 0.9798 0.9954

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 0.629 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) > 160 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007] ChEMBL. No reference
Potency (functional) 9.285 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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