Detailed information for compound 797760

Basic information

Technical information
  • TDR Targets ID: 797760
  • Name: (3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl) piperazin-1-yl]methanone
  • MW: 354.443 | Formula: C21H26N2O3
  • H donors: 0 H acceptors: 1 LogP: 3.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)C)C
  • InChi: 1S/C21H26N2O3/c1-15-5-7-18(13-16(15)2)22-9-11-23(12-10-22)21(24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3
  • InChiKey: QDIYKVBLFOZGNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)-1-piperazinyl]methanone
  • ZINC00644385
  • (3,4-Dimethoxyphenyl)[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
  • (3,4-Dimethoxy-phenyl)-[4-(3,4-dimethyl-phenyl)-piperazin-1-yl]-methanone
  • BAS 05595371
  • MLS000115822
  • SMR000092838
  • A2953/0124387
  • AP-124/41669607

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.016 0.0656 0.0656
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0134 0.0134
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0041 0.011 0.011
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0054 0.5
Echinococcus granulosus vesicular acetylcholine transporter 0.2199 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.011 0.011
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0546 0.0546
Brugia malayi TAR-binding protein 0.0136 0.0546 0.0546
Brugia malayi hypothetical protein 0.0041 0.011 0.011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0167 0.0167
Echinococcus multilocularis tar DNA binding protein 0.0136 0.0546 0.0546
Echinococcus multilocularis vesicular acetylcholine transporter 0.2199 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.009 0.009
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2199 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0134 0.0134
Brugia malayi RNA binding protein 0.0136 0.0546 0.0546
Echinococcus multilocularis muscleblind protein 0.016 0.0656 0.0656
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0134 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0546 0.0546
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0037 0.009 0.009
Echinococcus granulosus tar DNA binding protein 0.0136 0.0546 0.0546
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0546 0.0546
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0054 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.0656 0.0656
Loa Loa (eye worm) hypothetical protein 0.0029 0.0054 0.0054
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2199 1 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.2199 1 1
Leishmania major hypothetical protein, conserved 0.0029 0.0054 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0167 0.0167
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.0546 0.0546
Entamoeba histolytica hypothetical protein 0.0041 0.011 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.009 0.009
Brugia malayi Muscleblind-like protein 0.016 0.0656 0.0656
Loa Loa (eye worm) TAR-binding protein 0.0136 0.0546 0.0546
Echinococcus granulosus muscleblind protein 0.016 0.0656 0.0656
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0134 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0134 0.0134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0134 0.0134
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0054 0.5
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0546 0.0546
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0546 0.0546
Entamoeba histolytica hypothetical protein 0.0041 0.011 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.011 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.011 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0134 0.0134
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0134 0.0134
Loa Loa (eye worm) RNA binding protein 0.0136 0.0546 0.0546
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0054 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.011 0.011
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0054 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.0546 0.0546
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0054 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0054 0.5
Echinococcus multilocularis muscleblind protein 1 0.016 0.0656 0.0656
Brugia malayi hypothetical protein 0.0029 0.0054 0.0054
Brugia malayi hypothetical protein 0.0018 0.0007 0.0007
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0167 0.0167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0134 0.0134

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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