Detailed information for compound 1287539

Basic information

Technical information
  • TDR Targets ID: 1287539
  • Name: [5-[(3-methylphenoxy)methyl]furan-2-yl]-morph olin-4-ylmethanone
  • MW: 301.337 | Formula: C17H19NO4
  • H donors: 0 H acceptors: 1 LogP: 2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)OCc1ccc(o1)C(=O)N1CCOCC1
  • InChi: 1S/C17H19NO4/c1-13-3-2-4-14(11-13)21-12-15-5-6-16(22-15)17(19)18-7-9-20-10-8-18/h2-6,11H,7-10,12H2,1H3
  • InChiKey: DDRJHUAHVLVSQJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [5-[(3-methylphenoxy)methyl]-2-furyl]-morpholino-methanone
  • [5-[(3-methylphenoxy)methyl]-2-furyl]-morpholinomethanone
  • [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-yl-methanone
  • ZINC05032870
  • ASN 12655461
  • Morpholin-4-yl-(5-m-tolyloxymethyl-furan-2-yl)-methanone

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
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Leishmania braziliensis 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Theileria parva hypothetical 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Plasmodium falciparum 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Plasmodium knowlesi 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
Plasmodium yoelii putative AP endonuclease-related 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.013 0.08 0.3346
Loa Loa (eye worm) Smad1 0.0034 0.0131 0.0131
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0151 0.0156
Echinococcus granulosus caspase 0.0584 0.3963 0.4102
Brugia malayi isocitrate dehydrogenase 0.0016 0.0007 0.0007
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.013 0.08 0.0751
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0503 0.0521
Trypanosoma cruzi metacaspase, putative 0.0156 0.0982 0.101
Schistosoma mansoni serine/threonine protein kinase 0.0501 0.3386 0.3386
Trypanosoma brucei metacaspase 0.0156 0.0982 0.101
Onchocerca volvulus 0.0287 0.1892 0.1958
Brugia malayi MH2 domain containing protein 0.0498 0.3361 0.3361
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0007 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0151 0.0151
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0345 0.0345
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.1072 0.736 0.7617
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0151 0.0149
Plasmodium falciparum metacaspase-like protein 0.0156 0.0982 0.101
Brugia malayi Hexokinase family protein 0.0434 0.2916 0.2916
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0053 0.0193
Echinococcus multilocularis 6 phosphogluconolactonase 0.0044 0.0201 0.0208
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.1072 0.736 0.7617
Leishmania major hexokinase, putative 0.1403 0.9661 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0257 0.0266
Schistosoma mansoni hypothetical protein 0.0017 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0494 0.3334 0.3334
Leishmania major glucosamine-6-phosphate isomerase, putative 0.0044 0.0201 0.0201
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.3386 0.3351
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0151 0.0156
Brugia malayi CXXC zinc finger family protein 0.0035 0.0136 0.0136
Echinococcus granulosus caspase 3 0.0428 0.2875 0.2976
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0584 0.3963 0.4102
Brugia malayi glucose-6-phosphate dehydrogenase 0.1028 0.7053 0.7053
Onchocerca volvulus 0.0037 0.0151 0.0156
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0007 0.0007
Onchocerca volvulus 0.1403 0.9661 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Schistosoma mansoni smad1 5 8 and 0.0034 0.0131 0.0131
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.1028 0.7053 0.7299
Schistosoma mansoni hypothetical protein 0.0017 0.0013 0.0013
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.1028 0.7053 0.7299
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0257 0.0257
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.1028 0.7053 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Schistosoma mansoni cpg binding protein 0.0035 0.0136 0.0136
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0269 0.0269
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.013 0.08 0.0822
Brugia malayi MH2 domain containing protein 0.0034 0.0131 0.0131
Schistosoma mansoni hexokinase 0.1403 0.9661 0.9661
Schistosoma mansoni caspase-3 (C14 family) 0.0584 0.3963 0.3963
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0257 0.0266
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0421 0.0436
Echinococcus multilocularis hexokinase 0.1403 0.9661 1
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.3386 0.3351
Onchocerca volvulus Serine\/threonine kinase homolog 0.0501 0.3386 0.3505
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0151 0.0151
Brugia malayi Cell death protein 3 precursor 0.0156 0.0982 0.0982
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0269 0.0269
Trypanosoma brucei metacaspase 5, putative 0.0156 0.0982 0.101
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.1028 0.7053 0.7299
Schistosoma mansoni Smad4 0.0034 0.0131 0.0131
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.013 0.08 0.0751
Brugia malayi MH1 domain containing protein 0.0034 0.0131 0.0131
Brugia malayi Hexokinase family protein 0.088 0.6021 0.6021
Leishmania major hexokinase, putative 0.1403 0.9661 1
Toxoplasma gondii hexokinase 0.1403 0.9661 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0269 0.0269
Echinococcus multilocularis citrate lyase subunit beta protein 0.013 0.08 0.0828
Echinococcus granulosus smad 0.0034 0.0131 0.0135
Brugia malayi hexokinase type II 0.0446 0.2999 0.2999
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0156 0.0982 0.0982
Giardia lamblia Glucosamine-6-phosphate deaminase 0.0044 0.0201 0.0204
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0341 0.2267 0.2341
Entamoeba histolytica hypothetical protein 0.0076 0.0421 0.0383
Entamoeba histolytica hexokinase 1 0.1403 0.9661 1
Plasmodium vivax metacaspase 1, putative 0.0156 0.0982 0.101
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0257 0.0257
Giardia lamblia Glucosamine-6-phosphate deaminase 0.0044 0.0201 0.0204
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0131 0.0131
Schistosoma mansoni kinase 0.0255 0.1669 0.1669
Echinococcus granulosus caspase 8 0.0156 0.0982 0.1017
Schistosoma mansoni caspase-7 (C14 family) 0.0156 0.0982 0.0982
Leishmania major hypothetical protein, conserved 0.1129 0.7759 0.803
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0053 0.0047
Plasmodium falciparum hexokinase 0.1403 0.9661 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0345 0.0345
Loa Loa (eye worm) RNA binding protein 0.0065 0.0345 0.0345
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Echinococcus multilocularis hexokinase 0.1403 0.9661 1
Echinococcus multilocularis cpg binding protein 0.0037 0.015 0.0155
Loa Loa (eye worm) hypothetical protein 0.0037 0.0151 0.0151
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0007 0.0007
Loa Loa (eye worm) hexokinase 0.1403 0.9661 0.9661
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0151 0.0151
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0013 0.0013
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0421 0.0421
Schistosoma mansoni ets-related 0.0265 0.1743 0.1743
Loa Loa (eye worm) hypothetical protein 0.0017 0.0013 0.0013
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0053 0.0054
Trypanosoma cruzi metacaspase, putative 0.0156 0.0982 0.101
Trypanosoma cruzi metacaspase, putative 0.0156 0.0982 0.101
Schistosoma mansoni cpg binding protein 0.0037 0.015 0.015
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0053 0.0047
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Mycobacterium ulcerans hypothetical protein 0.013 0.08 0.0751
Trypanosoma cruzi hypothetical protein, conserved 0.1129 0.7759 0.803
Echinococcus granulosus GPCR family 2 0.0017 0.0013 0.0014
Brugia malayi Smad1 0.0034 0.0131 0.0131
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0044 0.0201 0.0201
Brugia malayi Ets-domain containing protein 0.0087 0.0503 0.0503
Entamoeba histolytica hypothetical protein 0.0076 0.0421 0.0383
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0151 0.0156
Echinococcus granulosus hexokinase type 2 0.1403 0.9661 1
Echinococcus multilocularis caspase 8 0.0156 0.0982 0.1017
Echinococcus multilocularis caspase 0.0584 0.3963 0.4102
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0053 0.0047
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.3386 0.3351
Brugia malayi Pre-SET motif family protein 0.0252 0.165 0.165
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0151 0.0151
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0053 0.0053
Echinococcus granulosus citrate lyase subunit beta protein 0.013 0.08 0.0828
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0131 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.0982 0.0935
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0501 0.3386 0.3501
Echinococcus multilocularis smad 0.0034 0.0131 0.0135
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0584 0.3963 0.4102
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.3386 0.3351
Schistosoma mansoni ap endonuclease 0.0023 0.0053 0.0053
Onchocerca volvulus 0.1403 0.9661 1
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.0982 0.0935
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Trypanosoma cruzi hypothetical protein, conserved 0.1129 0.7759 0.803
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.1072 0.736 1
Trypanosoma brucei 6-phosphogluconolactonase 0.0044 0.0201 0.0201
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.165 0.165
Mycobacterium ulcerans 6-phosphogluconolactonase 0.0044 0.0201 0.015
Brugia malayi serine/threonine-protein kinase plk-2 0.0501 0.3386 0.3386
Schistosoma mansoni smad1 5 8 and 0.0034 0.0131 0.0131
Loa Loa (eye worm) hexokinase 0.0434 0.2916 0.2916
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.013 0.08 0.0822
Brugia malayi Ets-domain containing protein 0.0087 0.0503 0.0503
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.3386 0.3351
Trypanosoma brucei hexokinase 0.1403 0.9661 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.013 0.08 0.0751
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.0982 0.0935
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0076 0.0421 0.0421
Mycobacterium tuberculosis Conserved protein 0.013 0.08 0.3346
Schistosoma mansoni gabp alpha 0.0087 0.0503 0.0503
Schistosoma mansoni ap endonuclease 0.0023 0.0053 0.0053
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0503 0.0521
Trypanosoma cruzi hexokinase, putative 0.1403 0.9661 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0013 0.0014
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0013 0.0014
Brugia malayi hypothetical protein 0.0076 0.0421 0.0421
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0361 0.0367
Plasmodium vivax hypothetical protein, conserved 0.0156 0.0982 0.101
Brugia malayi Hexokinase family protein 0.1403 0.9661 0.9661
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0044 0.0201 0.0201
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0501 0.3386 0.3505
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0345 0.0345
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.1028 0.7053 0.7053
Trypanosoma brucei hexokinase, putative 0.1403 0.9661 1
Trypanosoma brucei beta lactamase 0.0137 0.0849 0.0873
Schistosoma mansoni 6-phosphogluconolactonase 0.0044 0.0201 0.0201
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0345 0.0357
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0501 0.3386 0.3505
Mycobacterium ulcerans lipoprotein LpqF 0.0137 0.0849 0.0801
Loa Loa (eye worm) hexokinase 0.1403 0.9661 0.9661
Echinococcus granulosus hexokinase 0.1403 0.9661 1
Onchocerca volvulus 0.0035 0.0136 0.0141
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0156 0.0982 0.0982
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0137 0.0849 0.3554
Loa Loa (eye worm) hypothetical protein 0.0446 0.2999 0.2999
Trichomonas vaginalis CAMK family protein kinase 0.0248 0.1623 0.1579
Echinococcus multilocularis caspase 3 0.0428 0.2875 0.2976
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0007 0.0007
Schistosoma mansoni smad 0.0034 0.0131 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.0982 0.0935
Schistosoma mansoni hypothetical protein 0.0037 0.0151 0.0151
Schistosoma mansoni smad1 5 8 and 0.0034 0.0131 0.0131
Loa Loa (eye worm) transcription factor SMAD2 0.0498 0.3361 0.3361
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.0982 0.0935
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0286 0.1884 0.7917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0257 0.0257
Trypanosoma cruzi metacaspase 5, putative 0.0156 0.0982 0.101
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1892 0.1849
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0257 0.0257
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0957 0.6556 0.6556
Mycobacterium ulcerans hypothetical protein 0.013 0.08 0.0751
Onchocerca volvulus Hexokinase homolog 0.088 0.6021 0.6233
Loa Loa (eye worm) hypothetical protein 0.0156 0.0982 0.0982
Trypanosoma cruzi polo-like protein kinase, putative 0.0501 0.3386 0.3501
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0131 0.0131
Brugia malayi MH1 domain containing protein 0.0034 0.0131 0.0131
Brugia malayi MH2 domain containing protein 0.0034 0.0131 0.0131
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.1028 0.7053 0.7286
Brugia malayi hexokinase 0.1403 0.9661 0.9661
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.3386 0.3351
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0357 0.2378 1
Schistosoma mansoni 6-phosphogluconolactonase 0.0044 0.0201 0.0201
Trypanosoma brucei polo-like protein kinase 0.0501 0.3386 0.3501
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.1028 0.7053 0.7038
Schistosoma mansoni cpg binding protein 0.0037 0.015 0.015
Schistosoma mansoni glucosamine-6-phosphate isomerase 0.0044 0.0201 0.0201
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0013 0.0014
Entamoeba histolytica hypothetical protein 0.0076 0.0421 0.0383
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0053 0.0047
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0131 0.0135
Entamoeba histolytica hypothetical protein 0.0076 0.0421 0.0383
Trypanosoma cruzi metacaspase, putative 0.0156 0.0982 0.101
Treponema pallidum hexokinase (hxk) 0.1403 0.9661 1
Loa Loa (eye worm) hypothetical protein 0.0446 0.2999 0.2999
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0007 0.0007
Onchocerca volvulus Cell death protein 3 homolog 0.0156 0.0982 0.1017
Trypanosoma brucei metacaspase MCA2 0.0156 0.0982 0.101
Brugia malayi TAR-binding protein 0.0065 0.0345 0.0345
Schistosoma mansoni hypothetical protein 0.0017 0.0013 0.0013
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0044 0.0201 0.0201
Echinococcus granulosus cpg binding protein 0.0037 0.015 0.0155
Trypanosoma brucei metacaspase MCA3 0.0156 0.0982 0.101
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0131 0.0135
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0025
Echinococcus granulosus 6 phosphogluconolactonase 0.0044 0.0201 0.0208
Onchocerca volvulus 0.1403 0.9661 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.1072 0.736 0.7346
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0007 0.0007
Trypanosoma cruzi polo-like protein kinase, putative 0.0501 0.3386 0.3501
Toxoplasma gondii exonuclease III APE 0.0023 0.0053 0.0047
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0053 0.0047
Echinococcus granulosus caspase 2 0.0156 0.0982 0.1017
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0053 0.0047
Echinococcus granulosus hexokinase 0.1403 0.9661 1
Loa Loa (eye worm) fli-1 protein 0.0265 0.1743 0.1743
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0156 0.0982 0.101
Echinococcus multilocularis hexokinase 0.1403 0.9661 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0345 0.0345
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0671 0.457 0.4727
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0044 0.0201 0.015
Echinococcus granulosus hexokinase 0.1403 0.9661 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0345 0.0345
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3334 0.3451
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0044 0.0201 0.0155
Trypanosoma cruzi hexokinase, putative 0.1403 0.9661 1
Brugia malayi MH1 domain containing protein 0.0019 0.0025 0.0025
Giardia lamblia Kinase, PLK 0.0501 0.3386 0.4562
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0501 0.3386 0.3386
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.1028 0.7053 0.7053
Trypanosoma cruzi metacaspase 5, putative 0.0156 0.0982 0.101
Brugia malayi RNA binding protein 0.0065 0.0345 0.0345
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0421 0.0436
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0131 0.0135
Echinococcus multilocularis GPCR, family 2 0.0017 0.0013 0.0014
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0013 0.0013
Brugia malayi 6-phosphogluconolactonase family protein 0.0044 0.0201 0.0201
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1072 0.736 0.7346
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0503 0.0503
Plasmodium falciparum metacaspase 1 0.0156 0.0982 0.101
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Schistosoma mansoni hypothetical protein 0.0017 0.0013 0.0013
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0044 0.0201 0.0201
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.1072 0.736 0.7617
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0044 0.0201 0.0201
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.1028 0.7053 0.7301
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Trichomonas vaginalis CAMK family protein kinase 0.0248 0.1623 0.1579
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0053 0.0053
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3334 0.3451
Entamoeba histolytica serine/threonine protein kinase, putative 0.0501 0.3386 0.347
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0013 0.0014
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0044 0.0201 0.0155
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0331 0.2198 0.227
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0053 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.0982 0.0935
Brugia malayi Pre-SET motif family protein 0.0037 0.0151 0.0151
Echinococcus multilocularis caspase 2 0.0156 0.0982 0.1017
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0269 0.0269
Schistosoma mansoni caspase-7 (C14 family) 0.0584 0.3963 0.3963
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0013 0.0013
Leishmania major 6-phosphogluconolactonase 0.0044 0.0201 0.0201
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0345 0.0345
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0156 0.0982 0.101
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0156 0.0982 0.0935
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0136 0.0141
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0671 0.457 0.4541
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0156 0.0982 0.101
Loa Loa (eye worm) hypothetical protein 0.0156 0.0982 0.0982
Entamoeba histolytica hexokinase 2 0.1403 0.9661 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0137 0.0849 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0345 0.0345
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.1028 0.7053 0.7301
Trypanosoma brucei hexokinase 0.1403 0.9661 1
Plasmodium vivax hexokinase, putative 0.1403 0.9661 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.0345 0.0357
Loa Loa (eye worm) nuclear factor I 0.0019 0.0025 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0257 0.0266
Onchocerca volvulus 0.088 0.6021 0.6233
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0286 0.1884 0.1841
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0053 0.0054
Loa Loa (eye worm) hypothetical protein 0.0037 0.0151 0.0151
Leishmania major metacaspase, putative 0.0156 0.0982 0.101
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.3386 0.3351
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1072 0.736 0.7346
Echinococcus granulosus Smad4 0.0034 0.0131 0.0135
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.013 0.08 0.0822
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0131 0.0135
Loa Loa (eye worm) hexokinase type II 0.1403 0.9661 0.9661
Trypanosoma brucei Metacaspase-4 0.0156 0.0982 0.101
Brugia malayi MH1 domain containing protein 0.0019 0.0025 0.0025
Loa Loa (eye worm) MH2 domain-containing protein 0.0498 0.3361 0.3361
Plasmodium vivax SET domain protein, putative 0.0037 0.0151 0.0149
Loa Loa (eye worm) hexokinase 0.088 0.6021 0.6021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0257 0.0266
Echinococcus multilocularis hexokinase type 2 0.1403 0.9661 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0345 0.0345
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0007 0.0007
Brugia malayi Fli-1 protein 0.0265 0.1743 0.1743
Trypanosoma brucei glucosamine-6-phosphate isomerase, putative 0.0044 0.0201 0.0201
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0075 0.0415 0.0415
Trypanosoma brucei hypothetical protein, conserved 0.1129 0.7759 0.803
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0151 0.0151
Trichomonas vaginalis Citrate lyase beta chain, putative 0.013 0.08 0.0751
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0136 0.0136
Echinococcus multilocularis Smad4 0.0034 0.0131 0.0135

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 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) 1.5003 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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