Detailed information for compound 1324074

Basic information

Technical information
  • TDR Targets ID: 1324074
  • Name: N-[2-[(3-chlorophenyl)amino]-2-oxoethyl]furan -2-carboxamide
  • MW: 278.691 | Formula: C13H11ClN2O3
  • H donors: 2 H acceptors: 2 LogP: 2.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)Cl)CNC(=O)c1ccco1
  • InChi: 1S/C13H11ClN2O3/c14-9-3-1-4-10(7-9)16-12(17)8-15-13(18)11-5-2-6-19-11/h1-7H,8H2,(H,15,18)(H,16,17)
  • InChiKey: YGJNCGCASHGLKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(3-chlorophenyl)amino]-2-oxo-ethyl]furan-2-carboxamide
  • N-[2-[(3-chlorophenyl)amino]-2-oxoethyl]-2-furancarboxamide
  • N-[2-[(3-chlorophenyl)amino]-2-keto-ethyl]-2-furamide
  • T5307919
  • ZINC03328396

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trypanosoma cruzi apurinic/apyrimidinic 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
Toxoplasma gondii exonuclease III APE 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
Schistosoma mansoni ap endonuclease 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0729 0.0715
Plasmodium vivax ethanolamine kinase, putative 0.0025 0.0819 0.0805
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0015 0.0178
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0257 0.0242
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0729 0.8882
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0257 0.0242
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.12 0.1188
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0143 0.1753
Plasmodium vivax choline kinase, putative 0.0258 1 1
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0025 0.0819 1
Trypanosoma cruzi choline kinase 0.0025 0.0819 1
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0025 0.0819 1
Echinococcus multilocularis ethanolamine kinase 2 0.0025 0.0819 0.0805
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Plasmodium falciparum ethanolamine kinase 0.0025 0.0819 0.0805
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0251 0.0237
Schistosoma mansoni ap endonuclease 0.0023 0.0729 0.2628
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Plasmodium falciparum choline kinase 0.0258 1 1
Toxoplasma gondii phosphotransferase enzyme family protein 0.0025 0.0819 0.0805
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0729 0.0715
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0729 0.8882
Echinococcus granulosus ethanolamine kinase 2 0.0025 0.0819 0.0805
Loa Loa (eye worm) hypothetical protein 0.0025 0.0819 0.0805
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0729 0.5
Echinococcus multilocularis cpg binding protein 0.0037 0.1278 0.1266
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0173 0.0159
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0257 0.0242
Toxoplasma gondii exonuclease III APE 0.0023 0.0729 0.0715
Trichomonas vaginalis helicase, putative 0.0008 0.0143 0.1753
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0005 0.0015 0.0178
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0729 0.0715
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0143 0.1753
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Schistosoma mansoni choline/ethanolamine kinase 0.0025 0.0819 0.2959
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0729 0.5
Brugia malayi Choline/ethanolamine kinase family protein 0.0025 0.0819 0.0805
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0005 0.0015 0.0178
Schistosoma mansoni cpg binding protein 0.0037 0.1278 0.465
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0143 0.1753
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0005 0.0015 0.0178
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0015 0.0178
Onchocerca volvulus 0.0035 0.12 1
Giardia lamblia Ethanolamine kinase, putative 0.0025 0.0819 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0173 0.0159
Trypanosoma brucei choline kinase 0.0025 0.0819 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0025 0.0819 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.12 0.1188
Schistosoma mansoni ap endonuclease 0.0023 0.0729 0.2628
Schistosoma mansoni cpg binding protein 0.0035 0.12 0.4363
Echinococcus granulosus cpg binding protein 0.0037 0.1278 0.1266
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0173 0.0159
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0729 1
Echinococcus multilocularis choline:ethanolamine kinase 0.0258 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0729 0.0715
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.2423 0.2412
Echinococcus granulosus choline:ethanolamine kinase 0.0258 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0143 0.1753
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0729 0.0715
Toxoplasma gondii phosphotransferase enzyme family protein 0.0258 1 1
Loa Loa (eye worm) choline/ethanolamine kinase 0.0025 0.0819 0.0805
Trypanosoma brucei choline/ethanolamine kinase 0.0025 0.0819 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0143 0.1753
Schistosoma mansoni choline/ethanolamine kinase 0.0025 0.0819 0.2959
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0143 0.1753
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0173 0.0584
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0729 0.8882
Toxoplasma gondii phosphotransferase enzyme family protein 0.0025 0.0819 0.0805
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0729 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.003 0.0056
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0729 0.8902
Loa Loa (eye worm) choline/ethanolamine kinase 0.0258 1 1
Leishmania major choline kinase 0.0025 0.0819 1
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0005 0.0015 0.0178
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0143 0.1753
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0025 0.0819 1
Schistosoma mansoni cpg binding protein 0.0037 0.1278 0.465
Onchocerca volvulus 0.0025 0.0819 0.6781
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0729 0.8882
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Leishmania major choline/ethanolamine kinase, putative 0.0025 0.0819 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0143 0.1753
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0025 0.0819 0.6781
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0729 0.0715
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0173 0.0159
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0729 0.8902
Brugia malayi Choline/ethanolamine kinase family protein 0.0025 0.0819 0.0805
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0143 0.1753
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0729 0.8882
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0005 0.0015 0.0178
Loa Loa (eye worm) choline Kinase A 0.0025 0.0819 0.0805
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0015 0.0178
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.2732 1
Schistosoma mansoni choline kinase 0.0025 0.0819 0.2959
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0729 0.8882
Trichomonas vaginalis Phospholipase C precursor, putative 0.0005 0.0015 0.0178

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5973 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 9.285 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) 16.5113 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) 100 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

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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