Detailed information for compound 906372

Basic information

Technical information
  • TDR Targets ID: 906372
  • Name: N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophe nyl)piperazin-1-yl]ethyl]-N'-(3-methylbutyl)o xamide
  • MW: 484.563 | Formula: C26H33FN4O4
  • H donors: 2 H acceptors: 2 LogP: 4.01 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNC(=O)C(=O)NCC(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccccc1F)C
  • InChi: 1S/C26H33FN4O4/c1-18(2)9-10-28-25(32)26(33)29-16-22(19-7-8-23-24(15-19)35-17-34-23)31-13-11-30(12-14-31)21-6-4-3-5-20(21)27/h3-8,15,18,22H,9-14,16-17H2,1-2H3,(H,28,32)(H,29,33)
  • InChiKey: WCGNWDNXDFSOBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N'-isopentyl-oxamide
  • N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl]-N'-isopentyloxamide
  • N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N'-isoamyl-oxamide
  • N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N'-(3-methylbutyl)ethanediamide

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
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0274 0.422 0.7296
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0274 0.422 0.415
Brugia malayi RNA, U transporter 1 0.0095 0.0981 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0274 0.422 0.415
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0781 0.0669
Plasmodium vivax DNA polymerase alpha, putative 0.0087 0.0848 0.5
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0282 0.435 0.4281
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0267 0.0469
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0282 0.435 0.4281
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0595 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0267 0.0469
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0595 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0274 0.422 0.415
Echinococcus granulosus snurportin 1 0.0356 0.5686 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0108 0.1215 0.1749
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0274 0.422 0.7296
Schistosoma mansoni hypothetical protein 0.0335 0.5314 0.9346
Schistosoma mansoni hypothetical protein 0.0274 0.422 0.7422
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0404 0.1925
Mycobacterium tuberculosis Conserved hypothetical protein 0.0313 0.4923 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0217 0.3189 0.5392
Loa Loa (eye worm) MBCTL1 0.0063 0.0404 0.0254
Toxoplasma gondii hypothetical protein 0.0096 0.1003 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0108 0.1215 0.2136
Brugia malayi DNA polymerase alpha catalytic subunit 0.0087 0.0848 0.8135
Entamoeba histolytica DNA repair and recombination protein, putative 0.0274 0.422 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0084 0.0781 0.0669
Echinococcus multilocularis snurportin 1 0.0356 0.5686 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0404 0.0254
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0404 0.0254
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0404 0.0711
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0404 0.0254
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0267 0.0469
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0781 0.0669
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0102 0.1111 0.1003
Trichomonas vaginalis conserved hypothetical protein 0.0274 0.422 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0274 0.422 0.415
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0595 1 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0084 0.0781 0.0669
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0404 0.0254
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0274 0.422 0.415
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0274 0.422 0.415
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0282 0.435 0.4281
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0148 0.1942 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0274 0.422 0.415
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0217 0.3189 0.5392
Mycobacterium ulcerans hypothetical protein 0.0313 0.4923 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0274 0.422 0.5
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0108 0.1215 0.1749
Giardia lamblia Rrm3p helicase 0.0274 0.422 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0356 0.5686 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1942 0.3091
Schistosoma mansoni hypothetical protein 0.0356 0.5686 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0404 0.0254

Activities

No activities found for this compound.

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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