Detailed information for compound 176391

Basic information

Technical information
  • TDR Targets ID: 176391
  • Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmet hoxy]ethyl]-6-phenylsulfanylpurin-2-amine
  • MW: 545.396 | Formula: C18H18F6N5O4PS
  • H donors: 1 H acceptors: 4 LogP: 3.46 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: Nc1nc(Sc2ccccc2)c2c(n1)n(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cn2
  • InChi: 1S/C18H18F6N5O4PS/c19-17(20,21)8-32-34(30,33-9-18(22,23)24)11-31-7-6-29-10-26-13-14(29)27-16(25)28-15(13)35-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,25,27,28)
  • InChiKey: JJLWXCPEQYXFFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-phenylsulfanyl-purin-2-amine
  • 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(phenylthio)-2-purinamine
  • [9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(phenylthio)purin-2-yl]amine
  • 2-amino-6-(4-methoxyphenylthio)-9-(2-(phosphonomethoxy)ethyl)purine bis(2,2,2-trifluoroethyl) ester
  • 193681-12-8
  • Alamifovir
  • Alamifovir [INN]
  • Bis(2,2,2-trifluoroethyl) ((2-(2-amino-6-((4-methoxyphenyl)sulfanyl)-9H-purin-9-yl)ethoxy)methyl)phosphonate
  • AIDS-122308
  • AIDS122308
  • Phosphonic acid, [[2-[2-amino-6-(phenylthio)-9H-purin-9-yl]ethoxy]methyl]-, bis(2,2,2-trifluoroethyl) ester
  • MCC-478
  • Phosphonic acid, ((2-(2-amino-6-((4-methoxyphenyl)thio)-9H-purin-9-yl)ethoxy)methyl)-, bis(2,2,2-trifluoroethyl) ester
  • LY 582563
  • LY582563
  • MCC 478

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 phosphatidylinositol 4 kinase beta 0.0395 0.0605 0.0594
Echinococcus multilocularis rac serine:threonine kinase 0.0047 0.0034 0.0022
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0069 0.0069
Entamoeba histolytica hypothetical protein 0.0395 0.0605 0.058
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0395 0.0605 0.0605
Leishmania major hypothetical protein, conserved 0.0395 0.0605 0.0547
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1159 0.1857 0.1847
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0395 0.0605 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.4875 0.7945 0.7945
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1159 0.1857 0.1835
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0055 0.0048 0.0036
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0605 0.0594
Trypanosoma brucei target of rapamycin kinase 3, putative 0.488 0.7953 0.7941
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0395 0.0605 0.058
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0115 0.0146 0.0134
Echinococcus granulosus nervana 2 0.0042 0.0026 0.0014
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2056 0.3325 0.3284
Trichomonas vaginalis PIKK family atypical protein kinase 0.3662 0.5958 0.5958
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0115 0.0146 0.0134
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.6129 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0605 0.0605
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0395 0.0605 0.0605
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0395 0.0605 0.0594
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0395 0.0605 0.0738
Loa Loa (eye worm) phosphatidylinositol 3 0.6129 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0064 0.0062 0.0035
Schistosoma mansoni serine/threonine-protein kinase 0.0047 0.0034 0.0022
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0064 0.0062 0.005
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.0605 0.0594
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2056 0.3325 0.3317
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0395 0.0605 0.0594
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0064 0.0062 0.005
Echinococcus granulosus nervana 2 0.0042 0.0026 0.0014
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2056 0.3325 0.3284
Trichomonas vaginalis PIKK family atypical protein kinase 0.4875 0.7945 0.7945
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0395 0.0605 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.2056 0.3325 0.3325
Trichomonas vaginalis PIKK family atypical protein kinase 0.3979 0.6477 0.6477
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0605 0.0594
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0115 0.0146 0.0134
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0064 0.0062 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0605 0.0594
Echinococcus granulosus serine threonine protein kinase nrc 0.0042 0.0027 0.0015
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2056 0.3325 0.3317
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0395 0.0605 0.0594
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0395 0.0605 0.0738
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0064 0.0062 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.6129 1 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0064 0.0062 0.005
Leishmania major phosphatidylinositol 3-kinase, putative 0.2056 0.3325 0.3284
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.0605 0.0594
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0047 0.0034 0.0007
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.6129 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4875 0.7945 0.7945
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2899 0.4707 0.4674
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.0605 0.0594
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0395 0.0605 0.0594
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0064 0.0062 0.0609
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0064 0.0062 0.005
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0042 0.0026 0.0014
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.1159 0.1857 0.1857
Trypanosoma cruzi Protein kinase B 0.0047 0.0034 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.2056 0.3325 0.3325
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0395 0.0605 0.0605
Trichomonas vaginalis PIKK family atypical protein kinase 0.331 0.538 0.538
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1159 0.1857 0.1847
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0395 0.0605 0.0594
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.0547
Plasmodium vivax hypothetical protein 0.0395 0.0605 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.6129 1 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0395 0.0605 0.0605
Loa Loa (eye worm) hypothetical protein 0.0395 0.0605 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.4559 0.7427 0.7427
Schistosoma mansoni fkbp-rapamycin associated protein 0.1159 0.1857 0.1847
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0395 0.0605 0.0594
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0395 0.0605 0.0605
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1159 0.1857 0.1847
Trichomonas vaginalis immunophilin, putative 0.0064 0.0062 0.0062
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0395 0.0605 0.0594
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0069 0.0069
Onchocerca volvulus 0.0395 0.0605 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3305 0.5372 0.5372
Leishmania major phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.0547
Trichomonas vaginalis PIKK family atypical protein kinase 0.4875 0.7945 0.7945
Trichomonas vaginalis PIKK family atypical protein kinase 0.331 0.538 0.538
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0395 0.0605 0.058
Loa Loa (eye worm) hypothetical protein 0.01 0.0121 0.0109
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0395 0.0605 0.058
Loa Loa (eye worm) phosphatidylinositol 3 0.2056 0.3325 0.3317
Entamoeba histolytica hypothetical protein 0.1159 0.1857 0.1835
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0395 0.0605 0.0594
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0064 0.0062 0.0035
Echinococcus multilocularis 0.0395 0.0605 0.0594
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.0896 0.1426 0.1415
Trichomonas vaginalis PIKK family atypical protein kinase 0.1159 0.1857 0.1857
Brugia malayi Protein kinase domain containing protein 0.0068 0.0069 0.0057
Echinococcus multilocularis nervana 2 0.0042 0.0026 0.0014
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0395 0.0605 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0064 0.0062 0.005
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0395 0.0605 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0605 0.0594
Loa Loa (eye worm) hypothetical protein 0.0395 0.0605 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.4559 0.7427 0.7427
Schistosoma mansoni hypothetical protein 0.0395 0.0605 0.0594
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0395 0.0605 0.0594
Loa Loa (eye worm) hypothetical protein 0.0055 0.0048 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.4559 0.7427 0.7427
Trichomonas vaginalis PIKK family atypical protein kinase 0.4559 0.7427 0.7427
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0395 0.0605 0.058
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0064 0.0062 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.1292 0.2074 0.2074
Giardia lamblia GTOR 0.6129 1 1
Loa Loa (eye worm) FKBP5 protein 0.0064 0.0062 0.005
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.058
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0395 0.0605 0.0594
Trichomonas vaginalis fk506-binding protein, putative 0.0064 0.0062 0.0062
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0064 0.0062 0.0035
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.058
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0395 0.0605 0.0605
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0069 0.0069
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.6129 1 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0896 0.1426 0.1415
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0395 0.0605 0.0594
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1292 0.2074 0.2732
Echinococcus multilocularis Glutaredoxin protein 5 0.0042 0.0026 0.0014
Loa Loa (eye worm) hypothetical protein 0.1159 0.1857 0.1847
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.058
Mycobacterium tuberculosis Conserved hypothetical protein 0.0395 0.0605 0.5
Leishmania major phosphatidylinositol 4-kinase, putative 0.0395 0.0605 0.0547
Brugia malayi FAT domain containing protein 0.0896 0.1426 0.1415
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.0134 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.4559 0.7427 0.7427
Trichomonas vaginalis PIKK family atypical protein kinase 0.4111 0.6694 0.6694
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0395 0.0605 0.0594
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0395 0.0605 0.0594
Giardia lamblia Hypothetical protein 0.0395 0.0605 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.331 0.538 0.538
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1159 0.1857 0.1847
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.6129 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0395 0.0605 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.4559 0.7427 0.7427
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0064 0.0062 0.005
Leishmania major phosphatidylinositol kinase related protein, putative 0.0395 0.0605 0.0547
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0064 0.0062 0.0035
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0395 0.0605 0.0594
Schistosoma mansoni serine/threonine-protein kinase 0.0047 0.0034 0.0022
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0064 0.0062 0.005
Giardia lamblia Phosphatidylinositol 4-kinase 0.0395 0.0605 0.058
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.0605 0.0594
Plasmodium vivax hypothetical protein, conserved 0.0395 0.0605 1
Loa Loa (eye worm) hypothetical protein 0.0764 0.1209 0.1198
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0896 0.1426 0.1415
Trichomonas vaginalis PIKK family atypical protein kinase 0.3662 0.5958 0.5958
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0395 0.0605 0.058
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0069 0.0069
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0395 0.0605 0.0547
Trichomonas vaginalis PIKK family atypical protein kinase 0.3626 0.5899 0.5899
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.0605 0.0594
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0064 0.0062 0.0062
Entamoeba histolytica hypothetical protein 0.0395 0.0605 0.058
Echinococcus multilocularis Zinc finger, PHD finger 0.0395 0.0605 0.0594
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.3305 0.5372 0.5372
Trichomonas vaginalis PIKK family atypical protein kinase 0.2056 0.3325 0.3325
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2056 0.3325 0.3284
Schistosoma mansoni immunophilin 0.0064 0.0062 0.005
Entamoeba histolytica protein kinase rad3, putative 0.1159 0.1857 0.1835
Schistosoma mansoni immunophilin 0.0064 0.0062 0.005
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0395 0.0605 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0605 0.0605
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0115 0.0146 0.0134
Entamoeba histolytica PH domain containing protein kinase, putative 0.0047 0.0034 0.0007
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0064 0.0062 0.0609
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0064 0.0062 0.005
Loa Loa (eye worm) hypothetical protein 0.1292 0.2074 0.2064
Echinococcus granulosus serine/threonine protein kinase 0.0047 0.0034 0.0022
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0395 0.0605 1
Trichomonas vaginalis conserved hypothetical protein 0.0896 0.1426 0.1426
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1159 0.1857 0.1847
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0064 0.0062 0.0062
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.6129 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1159 0.1857 0.1835
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0395 0.0605 0.058
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2056 0.3325 0.3307
Trichomonas vaginalis conserved hypothetical protein 0.0764 0.1209 0.1209
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0395 0.0605 0.0605
Loa Loa (eye worm) hypothetical protein 0.1249 0.2004 0.1994
Echinococcus multilocularis fk506 binding protein 0.0064 0.0062 0.005
Entamoeba histolytica hypothetical protein 0.0395 0.0605 0.058
Schistosoma mansoni voltage-gated potassium channel 0.0126 0.0164 0.0152
Trichomonas vaginalis PIKK family atypical protein kinase 0.3626 0.5899 0.5899
Trichomonas vaginalis PIKK family atypical protein kinase 0.1645 0.2652 0.2652
Echinococcus multilocularis nervana 2 0.0042 0.0026 0.0014
Trypanosoma brucei rac serine-threonine kinase, putative 0.0068 0.0069 0.0007
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0395 0.0605 0.0605
Toxoplasma gondii FATC domain-containing protein 0.1159 0.1857 0.2437
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0042 0.0027 0.0015
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0395 0.0605 0.0594
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0395 0.0605 0.058
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0395 0.0605 0.0594
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0395 0.0605 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.2056 0.3325 0.3325
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0395 0.0605 0.0605
Trichomonas vaginalis PIKK family atypical protein kinase 0.6129 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0395 0.0605 0.0738
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0395 0.0605 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0395 0.0605 0.058
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0069 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.5233 0.8532 0.8532
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0395 0.0605 0.058
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0605 0.0594
Loa Loa (eye worm) hypothetical protein 0.0896 0.1426 0.1415
Trichomonas vaginalis PIKK family atypical protein kinase 0.4875 0.7945 0.7945
Trichomonas vaginalis PIKK family atypical protein kinase 0.1159 0.1857 0.1857
Trichomonas vaginalis PIKK family atypical protein kinase 0.4559 0.7427 0.7427
Trichomonas vaginalis PIKK family atypical protein kinase 0.331 0.538 0.538
Mycobacterium leprae conserved hypothetical protein 0.0395 0.0605 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.0134 0.0134
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0042 0.0026 0.0014
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0395 0.0605 0.0738
Schistosoma mansoni voltage-gated potassium channel 0.0126 0.0164 0.0152
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0395 0.0605 0.058
Leishmania major phosphatidylinositol kinase, putative 0.0395 0.0605 0.0547
Entamoeba histolytica protein kinase, putative 0.0068 0.0069 0.0042
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0395 0.0605 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.6129 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0042 0.0026 0.0014
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0395 0.0605 0.0605
Trichomonas vaginalis PIKK family atypical protein kinase 0.2056 0.3325 0.3325
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0395 0.0605 0.058
Entamoeba histolytica hypothetical protein 0.0395 0.0605 0.058
Echinococcus multilocularis serine protein kinase ATM 0.1159 0.1857 0.1847
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0395 0.0605 0.058
Loa Loa (eye worm) phosphatidylinositol kinase 0.0395 0.0605 0.0594
Entamoeba histolytica PH domain containing protein kinase, putative 0.0047 0.0034 0.0007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0605 0.0594
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.6129 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0042 0.0027 0.0015
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0395 0.0605 0.0547
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2546 0.4129 0.4092
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0064 0.0062 0.0035
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0395 0.0605 0.0738
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2056 0.3325 0.3317
Leishmania major hypothetical protein, unknown function 0.0395 0.0605 0.0547
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0064 0.0062 0.0035
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0764 0.1209 0.1185
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0395 0.0605 0.0605
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.6129 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2056 0.3325 0.3317
Entamoeba histolytica protein kinase, putative 0.0064 0.0062 0.0035
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2056 0.3325 0.3307
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0395 0.0605 0.0594
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1159 0.1857 0.1806
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0395 0.0605 0.0547
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.6129 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0395 0.0605 0.0605
Trichomonas vaginalis PIKK family atypical protein kinase 0.3305 0.5372 0.5372
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0395 0.0605 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3662 0.5958 0.5958
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0064 0.0062 0.005
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0069 0.0069
Trypanosoma cruzi target of rapamycin kinase 3 0.488 0.7953 0.7948
Echinococcus granulosus serine protein kinase ATM 0.1159 0.1857 0.1847
Trichomonas vaginalis PIKK family atypical protein kinase 0.0764 0.1209 0.1209
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0395 0.0605 1
Onchocerca volvulus 0.0395 0.0605 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0395 0.0605 0.0605
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0395 0.0605 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0395 0.0605 0.0547
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0064 0.0062 0.0035
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.6129 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.6129 1 1
Entamoeba histolytica protein kinase, putative 0.0068 0.0069 0.0042
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0395 0.0605 0.058
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.488 0.7953 0.7941
Loa Loa (eye worm) AGC/AKT protein kinase 0.0068 0.0069 0.0057
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1159 0.1857 0.1835
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0055 0.0048 0.0036
Schistosoma mansoni immunophilin 0.0055 0.0048 0.0036
Toxoplasma gondii target of rapamycin (TOR), putative 0.4559 0.7427 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0395 0.0605 0.058

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 1000 uM Cytotoxic concentration of compound required for 50% extinction of HuH-6 cells ChEMBL. 12086499
IC50 (functional) = 0.05 uM Concentration required to inhibit 50% of cytoplasmic HBV-DNA synthesis ChEMBL. 12086499
IC50 (functional) = 25 uM Anti-HSV-1 activity of the compound ChEMBL. 12086499

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

1 literature reference was collected for this gene.

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