Detailed information for compound 1429296

Basic information

Technical information
  • TDR Targets ID: 1429296
  • Name: (E)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3- (2-nitrophenyl)prop-2-en-1-one
  • MW: 355.345 | Formula: C18H17N3O5
  • H donors: 0 H acceptors: 4 LogP: 1.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)C(=O)c1ccco1)/C=C/c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C18H17N3O5/c22-17(8-7-14-4-1-2-5-15(14)21(24)25)19-9-11-20(12-10-19)18(23)16-6-3-13-26-16/h1-8,13H,9-12H2/b8-7+
  • InChiKey: ZWSBZZCXINMZBP-BQYQJAHWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one
  • (E)-1-[4-(2-furyl-oxomethyl)-1-piperazinyl]-3-(2-nitrophenyl)prop-2-en-1-one
  • 1-[4-(2-furyl-oxomethyl)-1-piperazinyl]-3-(2-nitrophenyl)prop-2-en-1-one
  • (E)-1-(4-furan-2-ylcarbonylpiperazin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
  • 1-(4-furan-2-ylcarbonylpiperazin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
  • MLS001007506
  • SMR000352645
  • ZINC02649103

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0102 0.0661 1
Brugia malayi cDNA sequence BC016226 0.0102 0.0661 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0102 0.0661 1
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0102 0.0661 1
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0102 0.0661 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0102 0.0661 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0661 0.0661
Toxoplasma gondii hypothetical protein 0.0102 0.0661 1
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0102 0.0661 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0102 0.0661 1
Schistosoma mansoni fad oxidoreductase 0.0102 0.0661 0.0661
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0102 0.0661 1
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0102 0.0661 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0102 0.0661 1
Schistosoma mansoni NAD dehydrogenase 0.0102 0.0661 0.0661
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.123 1 1
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0102 0.0661 1
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0102 0.0661 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1127 0.9151 1
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0102 0.0661 1
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0102 0.0661 1
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0102 0.0661 0.0661
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0102 0.0661 0.0722
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0102 0.0661 0.0661
Mycobacterium ulcerans D-amino acid oxidase Aao 0.123 1 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0102 0.0661 1
Leishmania major hypothetical protein, conserved 0.0102 0.0661 1
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0102 0.0661 0.0661
Schistosoma mansoni d-amino acid oxidase 0.123 1 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0102 0.0661 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0102 0.0661 1
Leishmania major hypothetical protein, conserved 0.0102 0.0661 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0661 0.0661
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0102 0.0661 0.0661
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0102 0.0661 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0102 0.0661 1
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0102 0.0661 1
Schistosoma mansoni fad oxidoreductase 0.0102 0.0661 0.0661
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0102 0.0661 1
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0102 0.0661 0.0661
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0102 0.0661 0.5
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0102 0.0661 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.0661 0.0661
Brugia malayi RE18450p 0.0102 0.0661 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0102 0.0661 1
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0102 0.0661 1
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0102 0.0661 0.0661
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0102 0.0661 0.0661
Chlamydia trachomatis D-amino acid dehydrogenase 0.0102 0.0661 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0102 0.0661 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0102 0.0661 1
Onchocerca volvulus Putative fad oxidoreductase 0.0102 0.0661 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0141 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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