Detailed information for compound 82666

Basic information

Technical information
  • TDR Targets ID: 82666
  • Name: [2-(4-aminophenyl)-1-hydroxy-1-phosphonoethyl ]phosphonic acid
  • MW: 297.139 | Formula: C8H13NO7P2
  • H donors: 6 H acceptors: 7 LogP: -2.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(P(=O)(O)O)(P(=O)(O)O)Cc1ccc(cc1)N
  • InChi: 1S/C8H13NO7P2/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5,9H2,(H2,11,12,13)(H2,14,15,16)
  • InChiKey: BRTBLZVYDKNGQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(4-aminophenyl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid
  • AIDS-231614
  • AIDS231614
  • Phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyl diphosphate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Schistosoma japonicum ko:K00787 dimethylallyltranstransferase [EC2.5.1.1], putative Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium berghei geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Toxoplasma gondii polyprenyl synthetase superfamily protein Get druggable targets OG5_127590 All targets in OG5_127590
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Loa Loa (eye worm) polyprenyl synthetase Get druggable targets OG5_127590 All targets in OG5_127590
Echinococcus granulosus farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Neospora caninum hypothetical protein Get druggable targets OG5_127590 All targets in OG5_127590
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Cryptosporidium parvum putative farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase) Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania donovani farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania major farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Cryptosporidium hominis farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania braziliensis farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania infantum farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma brucei gambiense farnesyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) Get druggable targets OG5_127590 All targets in OG5_127590
Theileria parva farnesyl pyrophosphate synthetase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Brugia malayi Polyprenyl synthetase family protein Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma brucei farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Schistosoma mansoni farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase) Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania mexicana farnesyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma cruzi farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma congolense farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Giardia lamblia Farnesyl diphosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium vivax geranylgeranyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Babesia bovis farnesyl pyrophosphate synthetase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium yoelii farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium knowlesi geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
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 decaprenyl diphosphate synthase subunit 1 0.0031 0.147 0.147
Schistosoma mansoni cpg binding protein 0.0029 0.133 0.133
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0031 0.147 0.8265
Schistosoma mansoni alpha glucosidase 0.0035 0.1704 0.1704
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0031 0.147 0.5
Onchocerca volvulus 0.0054 0.287 0.5244
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0359 0.0283
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.3313 0.3313
Loa Loa (eye worm) hypothetical protein 0.0025 0.1097 0.1085
Schistosoma mansoni hypothetical protein 0.0171 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.4009 0.4281
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4009 0.4009
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0676 0.0631
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0031 0.147 0.1231
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0031 0.147 0.1231
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.1704 0.1987
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2632 0.277
Echinococcus granulosus tar DNA binding protein 0.0073 0.4009 0.4009
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.287 0.3036
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0124 0.713 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.922 1
Brugia malayi Muscleblind-like protein 0.0145 0.8417 0.9119
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0124 0.713 1
Brugia malayi RNA binding protein 0.0073 0.4009 0.4286
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4009 0.4009
Echinococcus granulosus lamin 0.0054 0.287 0.287
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.713 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2809 0.2965
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1704 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0031 0.147 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2632 0.2775
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0676 0.0624
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0031 0.147 0.1642
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.2773 0.2924
Echinococcus multilocularis muscleblind protein 1 0.0145 0.8417 0.8417
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4009 0.4009
Leishmania major polyprenyl synthase, putative 0.0031 0.147 0.1642
Schistosoma mansoni lamin 0.0054 0.287 0.287
Echinococcus granulosus lamin dm0 0.0054 0.287 0.287
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.713 1
Echinococcus granulosus intermediate filament protein 0.0054 0.287 0.287
Loa Loa (eye worm) hypothetical protein 0.005 0.2632 0.277
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.1704 0.1752
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1704 0.1987
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.713 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0532 0.0532
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.1157 0.1157
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.1704 0.1704
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0031 0.147 0.147
Brugia malayi Polyprenyl synthetase family protein 0.0124 0.713 0.7708
Schistosoma mansoni hypothetical protein 0.0034 0.166 0.166
Brugia malayi Polyprenyl synthetase family protein 0.0031 0.147 0.1502
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.1704 0.1758
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0031 0.147 0.1231
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.1157 0.1157
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.713 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.8417 0.9119
Onchocerca volvulus 0.0054 0.287 0.5244
Loa Loa (eye worm) hypothetical protein 0.0013 0.0359 0.0275
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0031 0.147 0.1642
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0676 0.0469
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.4009 0.4286
Trypanosoma cruzi polyprenyl synthase, putative 0.0031 0.147 0.1642
Echinococcus multilocularis musashi 0.0054 0.287 0.287
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0031 0.147 0.1495
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.1704 0.1987
Schistosoma mansoni hypothetical protein 0.0171 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0054 0.287 0.3031
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0031 0.147 0.1502
Giardia lamblia Farnesyl diphosphate synthase 0.0124 0.713 1
Echinococcus multilocularis cpg binding protein 0.0031 0.1431 0.1431
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0031 0.147 0.1642
Echinococcus multilocularis lamin dm0 0.0054 0.287 0.287
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0676 0.0469
Schistosoma mansoni cpg binding protein 0.0031 0.1431 0.1431
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0532 0.0532
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2773 0.2773
Echinococcus granulosus GPCR family 2 0.0016 0.0532 0.0532
Brugia malayi intermediate filament protein 0.0054 0.287 0.3036
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.287 0.3031
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.1704 0.1592
Schistosoma mansoni lamin 0.0054 0.287 0.287
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0532 0.0466
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0031 0.147 0.1231
Schistosoma mansoni alpha-glucosidase 0.0136 0.7875 0.7875
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.166 0.171
Schistosoma mansoni alpha-glucosidase 0.0136 0.7875 0.7875
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0676 0.0469
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0124 0.713 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1704 0.1987
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0532 0.0473
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0031 0.147 0.147
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0031 0.147 0.8265
Echinococcus multilocularis GPCR, family 2 0.0016 0.0532 0.0532
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0124 0.713 1
Schistosoma mansoni intermediate filament proteins 0.0054 0.287 0.287
Loa Loa (eye worm) hypothetical protein 0.0026 0.1157 0.1152
Echinococcus multilocularis muscleblind protein 0.0145 0.8417 0.8417
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2773 0.2773
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1704 0.1987
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.1333 0.1345
Loa Loa (eye worm) hypothetical protein 0.0016 0.0532 0.0466
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0031 0.147 0.147
Schistosoma mansoni hypothetical protein 0.0016 0.0532 0.0532
Echinococcus granulosus cpg binding protein 0.0031 0.1431 0.1431
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0031 0.147 0.147
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0124 0.713 0.713
Loa Loa (eye worm) hypothetical protein 0.0025 0.1097 0.1085
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0108 0.0108
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0676 0.0469
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0124 0.713 0.713
Schistosoma mansoni hypothetical protein 0.0016 0.0532 0.0532
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.1704 0.1987
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1704 0.1987
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0031 0.147 0.1231
Trypanosoma brucei glucosidase, putative 0.0035 0.1704 0.1987
Loa Loa (eye worm) hypothetical protein 0.0145 0.8417 0.9119
Onchocerca volvulus 0.0091 0.5147 1
Brugia malayi TAR-binding protein 0.0073 0.4009 0.4286
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0124 0.713 0.713
Loa Loa (eye worm) hypothetical protein 0.0034 0.166 0.1703
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2773 0.2773
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.1333 0.1351
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0031 0.147 0.8265
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4009 0.4009
Echinococcus granulosus muscleblind protein 0.0145 0.8417 0.8417
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4009 0.4009
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0676 0.0469
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0676 0.0676
Leishmania major solanesyl-diphosphate synthase, putative 0.0031 0.147 0.1642
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0124 0.713 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0676 0.0469
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0031 0.147 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.133 0.1341
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.922 0.922
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2773 0.2773
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.922 0.922
Schistosoma mansoni hypothetical protein 0.0016 0.0532 0.0532
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1704 0.1987
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.922 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2632 0.2775
Onchocerca volvulus 0.0029 0.133 0.2028
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0124 0.713 1
Schistosoma mansoni cpg binding protein 0.0031 0.1431 0.1431
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0031 0.147 1
Loa Loa (eye worm) TAR-binding protein 0.0073 0.4009 0.4281
Loa Loa (eye worm) polyprenyl synthetase 0.0124 0.713 0.7706
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0031 0.147 0.1231
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0031 0.147 0.1231
Leishmania major farnesyl pyrophosphate synthase 0.0124 0.713 1
Schistosoma mansoni ap endonuclease 0.0018 0.0676 0.0676
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1704 0.1987
Trypanosoma cruzi polyprenyl synthase, putative 0.0031 0.147 0.1642
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0031 0.147 0.1642
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0031 0.147 0.147
Loa Loa (eye worm) polyprenyl synthetase 0.0031 0.147 0.1495
Brugia malayi CXXC zinc finger family protein 0.0029 0.133 0.1348
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.1704 0.1704
Loa Loa (eye worm) intermediate filament protein 0.0054 0.287 0.3031
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2773 0.2773
Schistosoma mansoni trans-prenyltransferase 0.0031 0.147 0.147
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2773 0.2773
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2773 0.2773
Schistosoma mansoni glutathione synthetase 0.0031 0.147 0.147
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0676 0.2361
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0124 0.713 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0532 0.0532
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0676 0.0676
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0124 0.713 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0031 0.147 0.147
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1704 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.2773 0.293
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1704 0.1987
Loa Loa (eye worm) RNA binding protein 0.0073 0.4009 0.4281
Echinococcus multilocularis geminin 0.0171 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.922 0.922
Schistosoma mansoni ap endonuclease 0.0018 0.0676 0.0676
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1704 0.1987
Schistosoma mansoni hypothetical protein 0.0016 0.0532 0.0532
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0532 0.0473
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0108 0.0108
Echinococcus multilocularis lamin 0.0054 0.287 0.287
Echinococcus multilocularis tar DNA binding protein 0.0073 0.4009 0.4009
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1704 0.1987
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0031 0.147 0.1231
Treponema pallidum octaprenyl-diphosphate synthase 0.0031 0.147 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.2913 0.3465

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 218 uM Dose of the compound to inhibit the growth of human KB carcinoma cell line ChEMBL. 16162013
ED50 (functional) = 218 uM Dose of the compound to inhibit the growth of human KB carcinoma cell line ChEMBL. 16162013
IC50 (functional) = -4.4 Predicted pIC50 against Tryomastigotes Brucei rhodesiense. ChEMBL. 12086478
IC50 (binding) = -4.36 Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) ChEMBL. 14613320
IC50 (functional) = 40 uM In vitro growth inhibition of blood-stream-form Trypanosoma brucei rhodesiense Trypomastigotes ChEMBL. 12086478
IC50 (functional) = 40 uM Inhibition of T. rhodesiense (strain STIB900) was determined using blood stream from trypomastigotes ChEMBL. 11300872
IC50 (functional) = 40 uM Inhibition of T. rhodesiense (strain STIB900) was determined using blood stream from trypomastigotes ChEMBL. 11300872
IC50 (functional) = 40 uM In vitro growth inhibition of blood-stream-form Trypanosoma brucei rhodesiense Trypomastigotes ChEMBL. 12086478
IC50 (binding) = 43 uM Inhibitory activity against farnesyl Pyrophosphate Synthase was determined ChEMBL. 14613320
IC50 (binding) = 43 uM Inhibitory activity against farnesyl Pyrophosphate Synthase was determined ChEMBL. 14613320
IC50 (binding) = 55 uM Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli ChEMBL. 16162013
IC50 (binding) = 55 uM Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli ChEMBL. 16162013
IC50 (functional) = 68.2 uM Inhibition of T. gondii tachyzoites in human foreskin fibroblast monolayer(DMEM with 10%fetal calf serum) ChEMBL. 11300872
IC50 (functional) = 68.2 uM Inhibition of T. gondii tachyzoites in human foreskin fibroblast monolayer(DMEM with 10%fetal calf serum) ChEMBL. 11300872
IC50 (functional) = 80.34 uM In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells) ChEMBL. 15857119
IC50 (functional) = 80.34 uM In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells) ChEMBL. 15857119
IC50 (binding) = 180 uM Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase). ChEMBL. 12014956
IC50 (binding) = 180 uM Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase). ChEMBL. 12014956
IC50 (functional) > 200 uM Inhibition of T. cruzi Amastigotes was determined in Vero cells culture and fetal calf serum ChEMBL. 11300872
IC50 (functional) > 200 uM Inhibition of L. donovani(Amastigotes) strain MHOM/ET/67/L82 maintained in female golden hamsters ChEMBL. 11300872
IC50 (functional) > 200 uM Inhibition of P. falciparum (intraerythrocytic stages) strain 3D7 ChEMBL. 11300872
IC50 (functional) > 200 uM In vitro growth inhibition against Entamoeba histolytica ChEMBL. 14695831
IC50 (functional) > 200 uM In vitro growth inhibition against Plasmodium falciparum ChEMBL. 14695831
IC50 (functional) > 200 uM Inhibition of T. cruzi Amastigotes was determined in Vero cells culture and fetal calf serum ChEMBL. 11300872
IC50 (functional) > 200 uM Inhibition of L. donovani(Amastigotes) strain MHOM/ET/67/L82 maintained in female golden hamsters ChEMBL. 11300872
IC50 (functional) > 200 uM Inhibition of P. falciparum (intraerythrocytic stages) strain 3D7 ChEMBL. 11300872
IC50 (functional) > 200 uM In vitro growth inhibition against Entamoeba histolytica ChEMBL. 14695831
IC50 (functional) > 200 uM In vitro growth inhibition against Plasmodium falciparum ChEMBL. 14695831
IC50 (functional) = 200 uM Antimicrobial activity against Plasmodium falciparum ChEMBL. 20185316
IC50 (functional) = 200 uM Antimicrobial activity against Entamoeba histolytica ChEMBL. 20185316
IC50 (functional) = 251 uM Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells, using individual observed maximum TNF-alpha release ChEMBL. 14711309
IC50 (functional) = 19939 uM Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells, using a constrained maximum TNF-alpha release of 2700 pg/mL ChEMBL. 14711309
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863
Ki (binding) = 4.2 uM Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand ChEMBL. 14613320
Ki (binding) = 4.2 uM Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand ChEMBL. 14613320
LD50 (ADMET) = 218 uM 50% lethal dose for inhibition of KB cells growth ChEMBL. 12086478
LD50 (ADMET) = 218 uM Toxicity evaluated against human nasopharyngeal carcinoma KB cell line ChEMBL. 14695831
LD50 (functional) = 218 uM Lethal dose required to inhibit the growth of human KB (nasopharyngeal carcinoma) cell line ChEMBL. 15857119
LD50 (ADMET) = 218 uM 50% lethal dose for inhibition of KB cells growth ChEMBL. 12086478
LD50 (ADMET) = 218 uM Toxicity evaluated against human nasopharyngeal carcinoma KB cell line ChEMBL. 14695831
LD50 (functional) = 218 uM Lethal dose required to inhibit the growth of human KB (nasopharyngeal carcinoma) cell line ChEMBL. 15857119
Log IC50 (functional) = 1.7 pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using a constrained maximum TNF-alpha release of 2700 pg/mL ChEMBL. 14711309
Log IC50 (functional) = 3.6 pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using individual observed maximum TNF-alpha release ChEMBL. 14711309
Log IC50 (binding) = 4.36 Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) ChEMBL. 14613320
Log IC50 (functional) = 4.4 Predicted pIC50 against Tryomastigotes Brucei rhodesiense. ChEMBL. 12086478
TI (functional) = 4 Ratio of ED50 against KB cell line to that of IC50 of TbVSP1 ChEMBL. 16162013
TI (functional) = 2.71 Therapeutic index (TI) value as ratio of lethal dose (LD50) to the inhibitory concentration (IC50) ChEMBL. 15857119
TI (functional) = 4 Ratio of ED50 against KB cell line to that of IC50 of TbVSP1 ChEMBL. 16162013
TI (ADMET) = 5 Therapeutic index measured as the ratio of LD50 (KB cells) to IC50 (T.b. rhodesiense) ChEMBL. 12086478

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.
 
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External resources for this compound

Bibliographic References

9 literature references were collected for this gene.

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