Detailed information for compound 1367494

Basic information

Technical information
  • TDR Targets ID: 1367494
  • Name: 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl ]-7,8-dimethylchromen-2-one
  • MW: 366.41 | Formula: C21H22N2O4
  • H donors: 0 H acceptors: 2 LogP: 2.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(CN2CCN(CC2)C(=O)c2ccco2)c2c(o1)c(C)c(cc2)C
  • InChi: 1S/C21H22N2O4/c1-14-5-6-17-16(12-19(24)27-20(17)15(14)2)13-22-7-9-23(10-8-22)21(25)18-4-3-11-26-18/h3-6,11-12H,7-10,13H2,1-2H3
  • InChiKey: CTOOTTYUJXXPLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one
  • 4-[[4-(2-furyl-oxomethyl)-1-piperazinyl]methyl]-7,8-dimethyl-2-chromenone
  • 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-coumarin
  • 4-[(4-furan-2-ylcarbonylpiperazin-1-yl)methyl]-7,8-dimethyl-chromen-2-one
  • T5299840
  • MLS001007731
  • SMR000384846

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium parvum conserved hypothetical 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Trichomonas vaginalis ap endonuclease, putative 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium yoelii putative AP endonuclease-related 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 apurinic/apyrimidinic 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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
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
Loa Loa (eye worm) RNA binding protein 0.0076 0.3009 0.2602
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.11 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.11 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.5528 0.5268
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.11 0.11
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3009 0.3009
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.11 0.0582
Echinococcus granulosus tar DNA binding protein 0.0076 0.3009 0.3009
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0025 0 0.5
Onchocerca volvulus 0.0114 0.5177 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.11 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.8407 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.11 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0551 0.0551
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.11 1
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0122 0.0309
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3009 0.3579
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0122 0.0309
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3009 0.3579
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.11 0.5
Brugia malayi TAR-binding protein 0.0076 0.3009 0.3009
Brugia malayi MH2 domain containing protein 0.012 0.5528 0.5528
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.11 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.1471 0.0974
Trypanosoma brucei RNA helicase, putative 0.0093 0.3954 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1471 0.0974
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.11 1
Treponema pallidum ribonuclease H (rnhA) 0.0025 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Trypanosoma brucei unspecified product 0.0027 0.0122 0.0309
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0122 0.0309
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3009 0.2602
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0027 0.0122 0.0309
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.11 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.5528 0.5268
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.11 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3009 0.3579
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.11 0.11
Trypanosoma brucei glucosidase, putative 0.0044 0.11 0.2782
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3009 0.3579
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.11 1
Brugia malayi RNA binding protein 0.0076 0.3009 0.3009
Schistosoma mansoni hypothetical protein 0.0034 0.0551 0.0655
Giardia lamblia Ribonuclease H 0.0025 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.11 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1471 0.1471
Schistosoma mansoni alpha-glucosidase 0.0169 0.8407 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.11 0.11
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3009 0.2602
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.11 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.11 1
Schistosoma mansoni hypothetical protein 0.0093 0.3954 0.4704
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.11 1
Schistosoma mansoni alpha glucosidase 0.0044 0.11 0.1309
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1471 0.1471
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3009 0.3009
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3009 0.3579

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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