Detailed information for compound 725943

Basic information

Technical information
  • TDR Targets ID: 725943
  • Name: N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)pi perazine-1-carboxamide
  • MW: 335.305 | Formula: C16H15F2N3O3
  • H donors: 1 H acceptors: 2 LogP: 1.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)NC(=O)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
  • InChiKey: DXWYWLDDFFYRBF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-difluorophenyl)-4-(2-furyl-oxomethyl)-1-piperazinecarboxamide
  • N-(2,4-difluorophenyl)-4-furan-2-ylcarbonyl-piperazine-1-carboxamide
  • ZINC06726168
  • IVK/0015997
  • Oprea1_707065

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
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.4833 0.7148
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.4833 0.7148
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.4498 0.6653
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.4498 0.6653
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.1491 0.1491
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.4833 0.7148
Echinococcus granulosus flap endonuclease 1 0.0027 0.6762 0.6762
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.6762 1
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.6762 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.1618 0.2393
Loa Loa (eye worm) hypothetical protein 0.0011 0.1618 0.2393
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.4833 0.7148
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.4498 0.6653
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.4833 0.7148
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.4498 0.4498
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.6762 1
Entamoeba histolytica hypothetical protein 0.0038 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.4498 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.4833 0.4833
Schistosoma mansoni flap endonuclease-1 0.0025 0.5947 0.5947
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.4833 0.7148
Entamoeba histolytica recQ family DNA helicase 0.0011 0.1618 0.1618
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.6762 1
Entamoeba histolytica hypothetical protein 0.0038 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.1618 0.2393
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.4833 0.7148
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.4498 0.4498
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.1618 0.2393
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.1618 0.2393
Schistosoma mansoni DNA helicase recq1 0.0021 0.4833 0.4833
Trichomonas vaginalis ap endonuclease, putative 0.002 0.4498 0.6653
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.4833 0.4833
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.1491 0.2204
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.4498 0.4498
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.4833 0.4833
Entamoeba histolytica Flap nuclease, putative 0.0027 0.6762 0.6762
Entamoeba histolytica recQ family helicase, putative 0.0021 0.4833 0.4833
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.4498 0.4498
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.4498 0.6653
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.4833 0.4833
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.4498 0.5
Toxoplasma gondii exonuclease III APE 0.002 0.4498 0.6653
Trichomonas vaginalis ap endonuclease, putative 0.002 0.4498 0.6653
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.4498 0.6653
Entamoeba histolytica recQ family helicase, putative 0.001 0.1491 0.1491
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.4833 0.7148
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.4833 0.7148
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.4498 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 1 1
Entamoeba histolytica hypothetical protein 0.0038 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.4833 0.7148
Echinococcus multilocularis flap endonuclease 1 0.0027 0.6762 0.6762
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.4498 0.6653
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.4833 0.4833
Schistosoma mansoni DNA helicase recq5 0.0021 0.4833 0.4833
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.4833 0.7148
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.4498 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.4833 0.4833
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.4498 0.6653
Schistosoma mansoni transcription factor LCR-F1 0.0038 1 1
Schistosoma mansoni hypothetical protein 0.0038 1 1
Schistosoma mansoni ap endonuclease 0.002 0.4498 0.4498
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.6762 1
Schistosoma mansoni ap endonuclease 0.002 0.4498 0.4498
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.4498 0.6653
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.6762 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.4833 0.4833
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.6762 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.1618 0.1618
Entamoeba histolytica hypothetical protein 0.0038 1 1
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.6762 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.4833 0.4833
Brugia malayi Flap endonuclease-1 0.0027 0.6762 0.6762
Echinococcus multilocularis bloom syndrome protein 0.0021 0.4833 0.4833
Loa Loa (eye worm) hypothetical protein 0.0011 0.1618 0.2393
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.4833 0.7148
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.4833 0.7148
Loa Loa (eye worm) RecQ helicase 0.0021 0.4833 0.7148
Plasmodium falciparum flap endonuclease 1 0.0027 0.6762 1
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.001 0.1491 0.2204

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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