Detailed information for compound 1472595

Basic information

Technical information
  • TDR Targets ID: 1472595
  • Name: N-[4-(phenylmethyl)piperazine-1-carbothioyl]f uran-2-carboxamide
  • MW: 329.417 | Formula: C17H19N3O2S
  • H donors: 1 H acceptors: 1 LogP: 2.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N1CCN(CC1)Cc1ccccc1)NC(=O)c1ccco1
  • InChi: 1S/C17H19N3O2S/c21-16(15-7-4-12-22-15)18-17(23)20-10-8-19(9-11-20)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,21,23)
  • InChiKey: NBBHEVHXNGTFKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[4-(phenylmethyl)-1-piperazinyl]-thioxomethyl]-2-furancarboxamide
  • N-[4-(benzyl)piperazine-1-carbothioyl]-2-furamide
  • N-[4-(phenylmethyl)piperazin-1-yl]carbothioylfuran-2-carboxamide

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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.306 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.306 0.306
Loa Loa (eye worm) RNA binding protein 0.007 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.306 0.306
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.7094 0.7094
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.306 0.306
Brugia malayi hypothetical protein 0.0036 0.3323 0.3323
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.306 1
Echinococcus granulosus tar DNA binding protein 0.007 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.5213 0.5213
Echinococcus multilocularis tar DNA binding protein 0.007 1 1
Schistosoma mansoni tar DNA-binding protein 0.007 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.5213 0.5213
Brugia malayi TAR-binding protein 0.007 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.5213 0.5213
Schistosoma mansoni hypothetical protein 0.0038 0.3698 0.3698
Entamoeba histolytica hypothetical protein 0.0036 0.3323 1
Loa Loa (eye worm) TAR-binding protein 0.007 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.306 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.306 0.306
Schistosoma mansoni tar DNA-binding protein 0.007 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.3698 0.3698
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.306 1
Brugia malayi RNA recognition motif domain containing protein 0.007 1 1
Schistosoma mansoni hypothetical protein 0.0036 0.3323 0.3323
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.7094 0.7094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.5213 0.5213
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.306 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.5213 0.5213
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.5213 0.5213
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.3323 0.3323
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.306 0.306
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.306 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.5213 0.5213
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.7094 0.7094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.5213 0.5213
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.306 0.306
Schistosoma mansoni tar DNA-binding protein 0.007 1 1
Brugia malayi Isocitrate dehydrogenase 0.0034 0.306 0.306
Brugia malayi isocitrate dehydrogenase 0.0034 0.306 0.306
Entamoeba histolytica hypothetical protein 0.0036 0.3323 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.306 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 1 1
Schistosoma mansoni tar DNA-binding protein 0.007 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.5213 0.5213
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.306 0.306
Entamoeba histolytica hypothetical protein 0.0036 0.3323 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.306 0.306
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.306 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.3323 0.3323
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.3323 0.3323
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.306 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.3323 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.7094 0.7094
Loa Loa (eye worm) hypothetical protein 0.0038 0.3698 0.3698
Schistosoma mansoni tar DNA-binding protein 0.007 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.306 1

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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