Detailed information for compound 1068276

Basic information

Technical information
  • TDR Targets ID: 1068276
  • Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl )piperazin-1-yl]propanamide
  • MW: 399.483 | Formula: C22H29N3O4
  • H donors: 1 H acceptors: 1 LogP: 2.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)CCN2CCN(CC2)c2ccccc2OC)cc(c1)OC
  • InChi: 1S/C22H29N3O4/c1-27-18-14-17(15-19(16-18)28-2)23-22(26)8-9-24-10-12-25(13-11-24)20-6-4-5-7-21(20)29-3/h4-7,14-16H,8-13H2,1-3H3,(H,23,26)
  • InChiKey: HBEIZXVFPCJMJO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propanamide
  • N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propionamide
  • Oprea1_573479
  • BAS 03086627
  • N-(3,5-Dimethoxy-phenyl)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propionamide
  • Oprea1_375577
  • STK146185

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
Echinococcus granulosus neutral amino acid transporter 0.0459 0.6408 0.6408
Echinococcus granulosus neutral amino acid transporter A 0.0459 0.6408 0.6408
Loa Loa (eye worm) hypothetical protein 0.006 0.0599 0.0935
Echinococcus granulosus neutral amino acid transporter A 0.0459 0.6408 0.6408
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0599 0.0935
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0404 0.0404
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0459 0.6408 0.6408
Echinococcus multilocularis excitatory amino acid transporter 2 0.0459 0.6408 0.6408
Echinococcus granulosus excitatory amino acid transporter 3 0.0459 0.6408 0.6408
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0459 0.6408 0.5
Echinococcus granulosus sodium:dicarboxylate symporter 0.0459 0.6408 0.6408
Echinococcus granulosus Excitatory amino acid transporter 0.0459 0.6408 0.6408
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0459 0.6408 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.149 0.2326
Loa Loa (eye worm) excitatory amino acid transporter 0.0459 0.6408 1
Echinococcus multilocularis neutral amino acid transporter A 0.0459 0.6408 0.6408
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0204 0.2686 0.2686
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0322 0.0502
Echinococcus multilocularis neutral amino acid transporter A 0.0459 0.6408 0.6408
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0404 0.0404
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0599 0.0935
Echinococcus multilocularis Excitatory amino acid transporter 0.0459 0.6408 0.6408
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0599 0.0935
Brugia malayi MH2 domain containing protein 0.0121 0.149 0.2326
Chlamydia trachomatis glutamate symporter 0.0459 0.6408 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0404 0.0404
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0404 0.0404
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0041 0.0322 0.0502
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0404 0.063
Brugia malayi Excitatory amino acid transporter 0.0459 0.6408 1
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.149 0.2326
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0404 0.063
Echinococcus multilocularis Excitatory amino acid transporter 0.0459 0.6408 0.6408
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0459 0.6408 0.6408
Schistosoma mansoni hypothetical protein 0.0041 0.0322 0.0322
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0404 0.0404
Echinococcus granulosus excitatory amino acid transporter 2 0.0459 0.6408 0.6408
Treponema pallidum glutamate transporter 0.0204 0.2686 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0459 0.6408 0.6408
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0459 0.6408 0.5
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0204 0.2686 0.2686
Echinococcus multilocularis excitatory amino acid transporter 2 0.0459 0.6408 0.6408
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0204 0.2686 0.2686
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0459 0.6408 0.6408
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0204 0.2686 0.2686
Echinococcus multilocularis excitatory amino acid transporter 3 0.0459 0.6408 0.6408
Echinococcus granulosus Excitatory amino acid transporter 0.0459 0.6408 0.6408
Treponema pallidum glutamate/aspartate transporter 0.0204 0.2686 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0404 0.0404
Echinococcus granulosus excitatory amino acid transporter 2 0.0459 0.6408 0.6408

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.