Detailed information for compound 1440767

Basic information

Technical information
  • TDR Targets ID: 1440767
  • Name: (E,1R)-N-di(phenyl)phosphoryl-3-methyl-1-phen ylhept-2-en-1-amine
  • MW: 403.496 | Formula: C26H30NOP
  • H donors: 1 H acceptors: 1 LogP: 6.97 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC/C(=C/[C@H](c1ccccc1)NP(=O)(c1ccccc1)c1ccccc1)/C
  • InChi: 1S/C26H30NOP/c1-3-4-14-22(2)21-26(23-15-8-5-9-16-23)27-29(28,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-21,26H,3-4,14H2,1-2H3,(H,27,28)/b22-21+/t26-/m1/s1
  • InChiKey: ODYSAWYGZWJOPM-VYNOCKSYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E,1R)-N-di(phenyl)phosphoryl-3-methyl-1-phenyl-hept-2-en-1-amine
  • di(phenyl)phosphoryl-[(E,1R)-3-methyl-1-phenyl-hept-2-enyl]amine
  • CMLD4_000205
  • MLS000563683
  • SMR000388918
  • NCGC00092049-01
  • UPCMLD00WCRS-6-247
  • SDCCGMLS-0091563.P001

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 hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
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 cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania infantum 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
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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 brucei gambiense 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
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
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
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
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
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, 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Theileria parva hypothetical protein 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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0216 0.0806 0.0781
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0216 0.0806 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0057 0.039
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0207 0.0205
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0032 0.1565
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0216 0.0806 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0527 0.052
Loa Loa (eye worm) hypothetical protein 0.0019 0.0043 0.0036
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.004
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0057 0.039
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0216 0.0806 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0138 0.143
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0216 0.0806 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.073 0.6926
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0216 0.0806 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0138 0.667
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0216 0.0806 1
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0032 0.007
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0207 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0207 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0207 0.109
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0043 0.0036
Schistosoma mansoni alpha glucosidase 0.0044 0.0138 0.0135
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0138 0.667
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0032 0.1565
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0216 0.0806 0.428
Schistosoma mansoni smad 0.001 0.0008 0.0005
Brugia malayi RE18450p 0.0216 0.0806 0.7651
Echinococcus multilocularis smad 0.001 0.0008 0.0025
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0207 0.2317
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0216 0.0806 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0624 0.0621
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0216 0.0806 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0057 0.039
Echinococcus granulosus cpg binding protein 0.0037 0.0111 0.0578
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0216 0.0806 0.0803
Echinococcus multilocularis Smad4 0.001 0.0008 0.0025
Echinococcus multilocularis muscleblind protein 1 0.018 0.0667 0.3539
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0216 0.0806 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0138 0.0722
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0527 0.052
Brugia malayi cDNA sequence BC016226 0.0216 0.0806 0.7651
Echinococcus multilocularis muscleblind protein 0.018 0.0667 0.3539
Chlamydia trachomatis D-amino acid dehydrogenase 0.0216 0.0806 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0111 0.0108
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0138 0.137
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0003
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0057 0.003
Schistosoma mansoni d-amino acid oxidase 0.2595 1 1
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0216 0.0806 0.428
Loa Loa (eye worm) hypothetical protein 0.0216 0.0806 0.0799
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0032 0.1565
Loa Loa (eye worm) hypothetical protein 0.018 0.0667 0.066
Schistosoma mansoni cpg binding protein 0.0035 0.0104 0.0101
Schistosoma mansoni fad oxidoreductase 0.0216 0.0806 0.0803
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0138 0.667
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0216 0.0806 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.2595 1 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0216 0.0806 1
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0216 0.0806 0.0781
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0032 0.1565
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0008 0.0025
Schistosoma mansoni hypothetical protein 0.0041 0.0129 0.0126
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0138 0.0722
Brugia malayi Muscleblind-like protein 0.018 0.0667 0.632
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0207 0.2317
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0254 0.0251
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0216 0.0806 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0057 0.0322
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0207 0.109
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0138 0.143
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.073 0.0723
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0202 0.1867
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0202 0.1867
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1879 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0207 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0207 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0008 0.0005
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.073 0.3876
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0215
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0057 0.2767
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0216 0.0806 0.0781
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0027 0.0019
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0138 0.1082
Schistosoma mansoni Smad4 0.001 0.0008 0.0005
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0207 0.2005
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0216 0.0806 1
Loa Loa (eye worm) hypothetical protein 0.0216 0.0806 0.0799
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0057 0.005
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0138 0.667
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0207 0.2317
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0216 0.0806 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0104 0.0921
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0027 0.0019
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0008 0.0025
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0207 0.109
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.004
Schistosoma mansoni cpg binding protein 0.0037 0.0111 0.0108
Loa Loa (eye worm) hypothetical protein 0.0041 0.0129 0.0121
Schistosoma mansoni fad oxidoreductase 0.0216 0.0806 0.0803
Schistosoma mansoni ap endonuclease 0.0023 0.0057 0.0054
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0043 0.0342
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0216 0.0806 0.0803
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.2379 0.9164 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0057 0.5
Echinococcus granulosus geminin 0.0205 0.0761 0.4039
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.004
Echinococcus multilocularis cpg binding protein 0.0037 0.0111 0.0578
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0104 0.0096
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0207 0.2005
Echinococcus multilocularis geminin 0.0205 0.0761 0.4039
Echinococcus multilocularis GPCR, family 2 0.0019 0.0043 0.0215
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0138 0.667
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0027 0.0019
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0138 0.0131
Mycobacterium ulcerans D-amino acid oxidase Aao 0.2595 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0057 0.0478
Echinococcus granulosus GPCR family 2 0.0019 0.0043 0.0215
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0011 0.0004
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0216 0.0806 0.0799
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0216 0.0806 0.7651
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0032 0.007
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0138 0.667
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0216 0.0806 0.428
Schistosoma mansoni hypothetical protein 0.0494 0.1879 0.1876
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0207 0.2317
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0216 0.0806 0.0822
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0215
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0207 0.2317
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0216 0.0806 0.7651
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0216 0.0806 1
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0216 0.0806 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0032 0.007
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0032 0.1565
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0202 0.0195
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0216 0.0806 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0138 0.667
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0011 0.0029
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0216 0.0806 1
Leishmania major hypothetical protein, conserved 0.0216 0.0806 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0138 0.667
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0207 0.109
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0224 0.2221
Onchocerca volvulus 0.0035 0.0104 0.0921
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0207 0.02
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0057 0.2767
Brugia malayi follicle stimulating hormone receptor 0.028 0.1051 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0032 0.1565
Schistosoma mansoni ap endonuclease 0.0023 0.0057 0.0054
Echinococcus granulosus smad 0.001 0.0008 0.0025
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.073 0.3876
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0043 0.0342
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0138 0.667
Schistosoma mansoni alpha-glucosidase 0.0169 0.0624 0.0621
Leishmania major hypothetical protein, conserved 0.0216 0.0806 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0138 0.137
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0216 0.0806 1
Schistosoma mansoni NAD dehydrogenase 0.0216 0.0806 0.0803
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0216 0.0806 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0138 0.1254
Onchocerca volvulus 0.0114 0.0409 0.4875
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.1051 0.1044
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0057 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.0008 0.0005
Loa Loa (eye worm) hypothetical protein 0.018 0.0667 0.066
Schistosoma mansoni smad1 5 8 and 0.001 0.0008 0.0005
Brugia malayi Cytochrome P450 family protein 0.0015 0.0027 0.0186
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0207 0.2317
Loa Loa (eye worm) hypothetical protein 0.006 0.0202 0.0195
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0008 0.0025
Echinococcus granulosus Smad4 0.001 0.0008 0.0025
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0216 0.0806 1
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.004
Brugia malayi Cytochrome P450 family protein 0.0015 0.0027 0.0186
Schistosoma mansoni smad1 5 8 and 0.001 0.0008 0.0005
Brugia malayi MAP kinase sur-1 0.0062 0.0207 0.1916
Schistosoma mansoni hypothetical protein 0.0205 0.0761 0.0758
Brugia malayi MH2 domain containing protein 0.0144 0.0527 0.4978
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0057 0.029
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0032 0.1565
Schistosoma mansoni hypothetical protein 0.0205 0.0761 0.0758
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0032 0.1565
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0057 0.029
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1879 1
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0216 0.0806 0.0781
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0011 0.0044
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0215
Trypanosoma brucei glucosidase, putative 0.0044 0.0138 0.143
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0129 0.1161
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0008 0.0025
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0207 0.2317
Toxoplasma gondii hypothetical protein 0.0216 0.0806 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0215
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0138 0.143
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0216 0.0806 0.428
Trypanosoma brucei protein kinase, putative 0.0062 0.0207 0.2317
Loa Loa (eye worm) hypothetical protein 0.0016 0.0032 0.0025
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0011 0.0044
Onchocerca volvulus Putative fad oxidoreductase 0.0216 0.0806 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.073 0.3876
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0032 0.0239
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0032 0.007
Echinococcus granulosus muscleblind protein 0.018 0.0667 0.3539
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0057 0.039
Loa Loa (eye worm) hypothetical protein 0.0216 0.0806 0.0799

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3696 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 (binding) 1 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 5.0119 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) = 5.0119 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) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 14.7157 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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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