Detailed information for compound 1557766

Basic information

Technical information
  • TDR Targets ID: 1557766
  • Name: N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]ami no]-3-oxopropyl]furan-2-carboxamide
  • MW: 360.716 | Formula: C15H12ClF3N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CCNC(=O)c1ccco1
  • InChi: 1S/C15H12ClF3N2O3/c16-11-4-3-9(8-10(11)15(17,18)19)21-13(22)5-6-20-14(23)12-2-1-7-24-12/h1-4,7-8H,5-6H2,(H,20,23)(H,21,22)
  • InChiKey: PHAVGDSMRCBYHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3-oxo-propyl]furan-2-carboxamide
  • N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3-oxopropyl]-2-furancarboxamide
  • N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3-keto-propyl]-2-furamide
  • ZINC06543665
  • T5362179

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum exodeoxyribonuclease (exoA) 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 tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10772 AP endonuclease 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Leishmania infantum 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
Loa Loa (eye worm) RNA 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
Trichomonas vaginalis ap 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Brugia malayi exodeoxyribonuclease III family protein 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 TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ap endonuclease 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:K10771 AP endonuclease 1, putative 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
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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Loa Loa (eye worm) TAR-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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
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 tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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
Toxoplasma gondii exonuclease III APE 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.006 0.2741 0.2741
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2741 0.2741
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0244 0.5
Echinococcus granulosus muscleblind protein 0.0155 0.9063 0.9063
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1232 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1232 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3827 0.3827
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3827 0.3827
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3827 0.3827
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0244 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0244 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3827 0.3827
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1232 1
Schistosoma mansoni alpha-glucosidase 0.0146 0.8431 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.1232 0.1232
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3827 0.4539
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2741 0.2741
Brugia malayi RNA binding protein 0.0076 0.3827 0.3827
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1232 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3827 0.4539
Echinococcus multilocularis muscleblind protein 0.0155 0.9063 0.9063
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1232 1
Trypanosoma brucei glucosidase, putative 0.0038 0.1232 1
Schistosoma mansoni ap endonuclease 0.0023 0.0244 0.0289
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0244 0.0244
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1232 1
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.1232 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.3827 0.3827
Loa Loa (eye worm) hypothetical protein 0.0155 0.9063 0.9063
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0244 0.0244
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1232 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0244 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1232 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3827 0.4539
Schistosoma mansoni hypothetical protein 0.0041 0.1473 0.1747
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.1232 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.1232 0.1232
Brugia malayi Muscleblind-like protein 0.0155 0.9063 0.9063
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0244 0.0244
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2741 0.2741
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.1232 1
Brugia malayi TAR-binding protein 0.0076 0.3827 0.3827
Onchocerca volvulus 0.0098 0.5249 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.1232 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1232 1
Schistosoma mansoni ap endonuclease 0.0023 0.0244 0.0289
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1473 0.1473
Schistosoma mansoni alpha-glucosidase 0.0146 0.8431 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.1232 0.1232
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.1232 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0244 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0244 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0244 0.5
Echinococcus multilocularis muscleblind protein 1 0.0155 0.9063 0.9063
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.1232 0.1232
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3827 0.4539
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.1232 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3827 0.4539
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0155 0.9063 0.9063
Schistosoma mansoni alpha glucosidase 0.0038 0.1232 0.1461
Loa Loa (eye worm) hypothetical protein 0.0041 0.1473 0.1473
Loa Loa (eye worm) RNA binding protein 0.0076 0.3827 0.3827

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0168 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 44.6684 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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