Detailed information for compound 1469649

Basic information

Technical information
  • TDR Targets ID: 1469649
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy phenyl)propanamide
  • MW: 329.39 | Formula: C19H23NO4
  • H donors: 2 H acceptors: 2 LogP: 2.97 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)CCc2ccccc2O)ccc1OC
  • InChi: 1S/C19H23NO4/c1-23-17-9-7-14(13-18(17)24-2)11-12-20-19(22)10-8-15-5-3-4-6-16(15)21/h3-7,9,13,21H,8,10-12H2,1-2H3,(H,20,22)
  • InChiKey: KUTONBDGRNESMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propionamide
  • CBMicro_037188
  • Oprea1_683863
  • BIM-0037410.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
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
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 %
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
Echinococcus multilocularis lysosomal alpha glucosidase 0.0328 1 1
Loa Loa (eye worm) alpha amylase 0.0158 0.3656 0.3656
Echinococcus multilocularis geminin 0.0205 0.539 0.5155
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0485 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0485 0.5
Schistosoma mansoni alpha-amylase 0.0158 0.3656 0.3788
Mycobacterium tuberculosis Trehalose synthase TreS 0.0158 0.3656 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0073 0.0485 0.5
Echinococcus multilocularis alpha glucosidase 0.0158 0.3656 0.3332
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0158 0.3656 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0073 0.0485 0.5
Echinococcus granulosus geminin 0.0205 0.539 0.5155
Schistosoma mansoni hypothetical protein 0.0205 0.539 0.586
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0073 0.0485 0.5
Echinococcus granulosus alpha glucosidase 0.0158 0.3656 0.3332
Echinococcus multilocularis lysosomal alpha glucosidase 0.0328 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0328 1 1
Schistosoma mansoni alpha-amylase 0.0158 0.3656 0.3788
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0485 0.5
Schistosoma mansoni alpha-amylase 0.0158 0.3656 0.3788
Echinococcus granulosus lysosomal alpha glucosidase 0.0328 1 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0073 0.0485 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0485 0.5
Loa Loa (eye worm) alpha amylase 0.0158 0.3656 0.3656
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0485 0.5
Schistosoma mansoni alpha-glucosidase 0.0297 0.8855 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0073 0.0485 0.0485
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0073 0.0485 0.5
Mycobacterium ulcerans trehalose synthase TreS 0.0158 0.3656 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0485 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0073 0.0485 0.5
Onchocerca volvulus 0.0297 0.8855 0.5
Schistosoma mansoni alpha-amylase 0.0158 0.3656 0.3788
Schistosoma mansoni alpha-glucosidase 0.0297 0.8855 1
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0158 0.3656 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0073 0.0485 0.0485
Trypanosoma brucei glucosidase, putative 0.0073 0.0485 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.539 0.586
Schistosoma mansoni alpha-amylase 0.0158 0.3656 0.3788
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0158 0.3656 0.3656
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0158 0.3656 0.3656
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0485 0.5
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0158 0.3656 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8356 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] 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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