Detailed information for compound 32876

Basic information

Technical information
  • TDR Targets ID: 32876
  • Name: 1-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin- 1-yl]butyl]naphthalene-2-carboxamide
  • MW: 447.569 | Formula: C27H33N3O3
  • H donors: 1 H acceptors: 1 LogP: 4.74 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1OC)cccc2
  • InChi: 1S/C27H33N3O3/c1-32-25-12-6-5-11-24(25)30-19-17-29(18-20-30)16-8-7-15-28-27(31)23-14-13-21-9-3-4-10-22(21)26(23)33-2/h3-6,9-14H,7-8,15-20H2,1-2H3,(H,28,31)
  • InChiKey: PSCQXXNRUIIBSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methoxy-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide
  • 1-methoxy-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-2-naphthamide
  • 1-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-naphthamide

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
Leishmania major trypanothione reductase 0.0071 0.0224 0.0428
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.062 0.3196 0.8786
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0049 0.0106 0.0106
Echinococcus granulosus fructose bisphosphate aldolase class I 0.062 0.3196 0.8786
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.062 0.3196 0.8786
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0097 0.0363 0.0615
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0049 0.0106 0.0022
Entamoeba histolytica MIR domain protein 0.0152 0.0664 0.5
Onchocerca volvulus 0.0149 0.0645 0.9143
Brugia malayi MIR domain containing protein 0.0152 0.0664 0.0664
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0082 0.0281 0.0069
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0972 0.5107 0.5107
Leishmania major phospholipase c-like protein 0.0049 0.0106 0.0049
Onchocerca volvulus 0.0152 0.0664 1
Loa Loa (eye worm) glutathione reductase 0.0071 0.0224 0.019
Schistosoma mansoni phospholipase C beta 0.0109 0.0427 0.0246
Loa Loa (eye worm) hypothetical protein 0.1336 0.7077 1
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.062 0.3196 1
Echinococcus multilocularis ryanodine receptor 44f 0.0695 0.3606 1
Leishmania major fructose-1,6-bisphosphate aldolase 0.062 0.3196 1
Loa Loa (eye worm) thioredoxin reductase 0.0071 0.0224 0.019
Schistosoma mansoni ryanodine receptor related 0.0972 0.5107 0.5901
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.062 0.3196 0.3591
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0111 0.0442 0.0646
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.062 0.3196 0.8786
Plasmodium falciparum fructose-bisphosphate aldolase 0.062 0.3196 1
Loa Loa (eye worm) hypothetical protein 0.1318 0.698 0.9861
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.082 0.4282 1
Trypanosoma cruzi inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0092 0.034 0.0559
Brugia malayi phospholipase C homolog 0.0082 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0092 0.034 0.0356
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0111 0.0442 0.0646
Loa Loa (eye worm) hypothetical protein 0.0092 0.034 0.0356
Loa Loa (eye worm) Plcb4 protein 0.0109 0.0427 0.0481
Leishmania major hypothetical protein, conserved 0.0557 0.2859 0.8916
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.062 0.3196 1
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.062 0.3196 0.3591
Loa Loa (eye worm) ryanodine receptor 0.0263 0.1261 0.1675
Brugia malayi glutathione reductase 0.0071 0.0224 0.0224
Brugia malayi fructose-bisphosphate aldolase 2 0.062 0.3196 0.3196
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0152 0.0664 0.0532
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.062 0.3196 0.8786
Brugia malayi Thioredoxin reductase 0.0071 0.0224 0.0224
Toxoplasma gondii thioredoxin reductase 0.0071 0.0224 0.0381
Echinococcus granulosus cytohesin 1 0.0102 0.0393 0.05
Echinococcus granulosus stromal cell derived factor 2 0.0152 0.0664 0.1302
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0109 0.0427 0.0427
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.062 0.3196 0.8786
Plasmodium vivax glutathione reductase, putative 0.0071 0.0224 0.0428
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.062 0.3196 0.8786
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.062 0.3196 0.4445
Echinococcus granulosus ryanodine receptor 44f 0.0695 0.3606 1
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0263 0.1261 0.1254
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.062 0.3196 0.8786
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.062 0.3196 0.7399
Loa Loa (eye worm) hypothetical protein 0.118 0.6233 0.8792
Leishmania major inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0092 0.034 0.0801
Echinococcus multilocularis cytohesin 1 0.0102 0.0393 0.05
Brugia malayi Cytohesin 3 0.0102 0.0393 0.0393
Echinococcus multilocularis stromal cell derived factor 2 0.0152 0.0664 0.1302
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.062 0.3196 1
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.082 0.4282 1
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0047 0.0091 0.0091
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0052 0.0123 0.0046
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.062 0.3196 0.7399
Schistosoma mansoni inositol 145-trisphosphate receptor 0.118 0.6233 0.7261
Trichomonas vaginalis mannosyltransferase 1, putative 0.0152 0.0664 0.5
Loa Loa (eye worm) hypothetical protein 0.0695 0.3606 0.5032
Schistosoma mansoni guanyl-nucleotide exchange factor 0.0102 0.0393 0.0204
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.062 0.3196 0.7399
Loa Loa (eye worm) hypothetical protein 0.026 0.1249 0.1657
Brugia malayi Variant SH3 domain containing protein 0.0052 0.0123 0.0123
Trypanosoma cruzi inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0092 0.034 0.0559
Loa Loa (eye worm) hypothetical protein 0.0092 0.034 0.0356
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0179 0.0806 0.0704
Plasmodium falciparum glutathione reductase 0.0071 0.0224 0.0428
Plasmodium falciparum thioredoxin reductase 0.0071 0.0224 0.0428
Loa Loa (eye worm) hypothetical protein 0.0111 0.0442 0.0503
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.062 0.3196 0.7399
Loa Loa (eye worm) hypothetical protein 0.0149 0.0645 0.0793
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.062 0.3196 1
Plasmodium vivax thioredoxin reductase, putative 0.0071 0.0224 0.0428
Schistosoma mansoni inositol 145-trisphosphate receptor 0.1598 0.8499 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.062 0.3196 0.7399
Trypanosoma brucei trypanothione reductase 0.0071 0.0224 0.0282
Loa Loa (eye worm) MIR domain-containing protein 0.0152 0.0664 0.0821
Echinococcus multilocularis ryanodine receptor 44f 0.054 0.2762 0.7505
Trypanosoma cruzi trypanothione reductase, putative 0.0071 0.0224 0.0282
Loa Loa (eye worm) cytohesin 3 0.0102 0.0393 0.0432
Brugia malayi fructose-bisphosphate aldolase 1 0.062 0.3196 0.3196
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0071 0.0224 0.5
Echinococcus granulosus ryanodine receptor 44f 0.054 0.2762 0.7505
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.062 0.3196 0.4445

Activities

Activity type Activity value Assay description Source Reference
Ratio (functional) = 0 Compound was evaluated for affinity ratio of dopamine D2 receptor to dopamine D3 receptor; 1:10 ChEMBL. 14998318

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

1 literature reference was collected for this gene.

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