Detailed information for compound 1363800

Basic information

Technical information
  • TDR Targets ID: 1363800
  • Name: (3,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperidi n-1-yl)methanone
  • MW: 326.39 | Formula: C19H22N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)N1CCC(CC1)c1ccncc1
  • InChi: 1S/C19H22N2O3/c1-23-17-4-3-16(13-18(17)24-2)19(22)21-11-7-15(8-12-21)14-5-9-20-10-6-14/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
  • InChiKey: QNUGYFMKPMMMCB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (3,4-dimethoxyphenyl)-[4-(4-pyridyl)-1-piperidyl]methanone
  • (3,4-dimethoxyphenyl)-[4-(4-pyridyl)-1-piperidinyl]methanone
  • G886-0013
  • NCGC00137550-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723

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
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0039 0.0248 0.0248
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0049 0.0643 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0109 0.3016 0.5074
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0277 0.9605 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0109 0.3016 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0109 0.3016 0.3016
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0208 0.6883 0.5
Toxoplasma gondii pyruvate carboxylase 0.0109 0.3016 0.2839
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0109 0.3016 0.3016
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0109 0.3016 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0109 0.3016 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0109 0.3016 0.3016
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0039 0.0248 0.0248
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0287 1 1
Trypanosoma brucei acetyl-CoA carboxylase 0.0287 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0109 0.3016 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0039 0.0248 0.0248
Leishmania major acetyl-CoA carboxylase, putative 0.0287 1 1
Brugia malayi Carboxyl transferase domain containing protein 0.0277 0.9605 1
Onchocerca volvulus 0.0033 0 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0109 0.3016 0.5074
Trypanosoma brucei unspecified product 0.0072 0.1544 0.1329
Schistosoma mansoni pyruvate carboxylase 0.0109 0.3016 0.3016
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0109 0.3016 0.3016
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0109 0.3016 1
Leishmania major carboxylase, putative 0.0109 0.3016 0.2839
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0049 0.0643 0.5
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0208 0.6883 0.5
Mycobacterium ulcerans pyruvate carboxylase 0.0109 0.3016 1
Chlamydia trachomatis biotin carboxylase 0.0099 0.2621 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0287 1 1
Onchocerca volvulus 0.0033 0 0.5
Trypanosoma cruzi acetyl-CoA carboxylase 0.0178 0.5703 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0109 0.3016 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0287 1 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0109 0.3016 0.2839
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0109 0.3016 0.2839
Schistosoma mansoni acetyl-CoA carboxylase 0.0287 1 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0109 0.3016 0.2839
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0109 0.3016 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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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