Detailed information for compound 188635

Basic information

Technical information
  • TDR Targets ID: 188635
  • Name: (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl -2-[(1E,3E)-5-hydroxy-3-methyl-5-oxopenta-1,3 -dienyl]-3-methoxy-9-methyl-1,7-dioxaspiro[5. 5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2, 6,8-trienoic acid
  • MW: 574.745 | Formula: C33H50O8
  • H donors: 3 H acceptors: 5 LogP: 6.4 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC[C@@]1(OC)CC[C@@]2(O[C@H]1/C=C/C(=C/C(=O)O)/C)CC[C@@H]([C@H](O2)C/C=C(/C=C/[C@@H]([C@H](/C=C/C(=O)O)C)O)\C)C
  • InChi: 1S/C33H50O8/c1-7-8-18-32(39-6)20-21-33(41-29(32)15-11-24(3)22-31(37)38)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/m0/s1
  • InChiKey: HLGCQPMVAUVQRL-LTPNEUAOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-2-[(1E,3E)-5-hydroxy-3-methyl-5-oxo-penta-1,3-dienyl]-3-methoxy-9-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyl-deca-2,6,8-trienoic acid
  • (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-2-[(1E,3E)-5-hydroxy-5-keto-3-methyl-penta-1,3-dienyl]-3-methoxy-9-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyl-deca-2,6,8-trienoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Isoleucyl-tRNA synthetase Starlite/ChEMBL References
Homo sapiens isoleucyl-tRNA synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126684 All targets in OG5_126684
Treponema pallidum isoleucyl-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Plasmodium knowlesi isoleucine--tRNA ligase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Entamoeba histolytica isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Babesia bovis tRNA synthetases class I protein superfamily Get druggable targets OG5_126684 All targets in OG5_126684
Theileria parva isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Trypanosoma brucei isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum ko:K10420 dynein light chain Tctex-type 1, putative Get druggable targets OG5_126944 All targets in OG5_126944
Plasmodium vivax isoleucine--tRNA ligase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Candida albicans probable tRNA synthetase similar to S. cerevisiae ILS1 (YBL076C) Isoleucyl-tRNA synthetase, cytoplasmic Get druggable targets OG5_126684 All targets in OG5_126684
Brugia malayi isoleucyl-tRNA synthetase family protein Get druggable targets OG5_126684 All targets in OG5_126684
Brugia malayi isoleucyl-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Leishmania mexicana isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Get druggable targets OG5_126944 All targets in OG5_126944
Schistosoma japonicum ko:K01870 isoleucyl-tRNA synthetase [EC6.1.1.5], putative Get druggable targets OG5_126684 All targets in OG5_126684
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum Sodium- and chloride-dependent GABA transporter 2, putative Get druggable targets OG5_126944 All targets in OG5_126944
Plasmodium yoelii isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Plasmodium falciparum isoleucine--tRNA ligase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum Sodium- and chloride-dependent creatine transporter 1, putative Get druggable targets OG5_126944 All targets in OG5_126944
Leishmania donovani isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Get druggable targets OG5_126944 All targets in OG5_126944
Cryptosporidium hominis isoleucine-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Leishmania infantum isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS Get druggable targets OG5_126684 All targets in OG5_126684
Echinococcus granulosus sodium:chloride dependent neurotransmitter Get druggable targets OG5_126944 All targets in OG5_126944
Schistosoma mansoni isoleucine--tRNA ligase Get druggable targets OG5_126684 All targets in OG5_126684
Candida albicans likely tRNA synthetase similar to S. cerevisiae ISM1 (YPL040C) nuclear encoded mitochondrial tRNA-Ile synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Get druggable targets OG5_126944 All targets in OG5_126944
Candida albicans likely tRNA synthetase similar to S. cerevisiae ISM1 (YPL040C) nuclear encoded mitochondrial tRNA-Ile synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Echinococcus multilocularis sodium:chloride dependent neurotransmitter Get druggable targets OG5_126944 All targets in OG5_126944
Mycobacterium ulcerans isoleucyl-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126944 All targets in OG5_126944
Trichomonas vaginalis isoleucyl tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Get druggable targets OG5_126944 All targets in OG5_126944
Echinococcus granulosus isoleucyl trna synthetase mitochondrial Get druggable targets OG5_126684 All targets in OG5_126684
Cryptosporidium parvum isoleucine-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Neospora caninum isoleucine-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Leishmania braziliensis isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Toxoplasma gondii isoleucyl-tRNA synthetase family protein Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum Sodium- and chloride-dependent GABA transporter 3, putative Get druggable targets OG5_126944 All targets in OG5_126944
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126944 All targets in OG5_126944
Chlamydia trachomatis isoleucine--tRNA ligase Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum ko:K01870 isoleucyl-tRNA synthetase [EC6.1.1.5], putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_126944 All targets in OG5_126944
Candida albicans probable tRNA synthetase similar to S. cerevisiae ILS1 (YBL076C) Isoleucyl-tRNA synthetase, cytoplasmic Get druggable targets OG5_126684 All targets in OG5_126684
Onchocerca volvulus Get druggable targets OG5_126684 All targets in OG5_126684
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial Get druggable targets OG5_126684 All targets in OG5_126684
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum ko:K01870 isoleucyl-tRNA synthetase [EC6.1.1.5], putative Get druggable targets OG5_126684 All targets in OG5_126684
Babesia bovis isoleucyl-tRNA synthetase family protein Get druggable targets OG5_126684 All targets in OG5_126684
Plasmodium berghei isoleucine--tRNA ligase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Giardia lamblia Isoleucyl-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum ko:K01870 isoleucyl-tRNA synthetase [EC6.1.1.5], putative Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_126944 All targets in OG5_126944
Schistosoma mansoni isoleucine--tRNA ligase Get druggable targets OG5_126684 All targets in OG5_126684
Trypanosoma brucei gambiense isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Loa Loa (eye worm) isoleucyl-tRNA synthetase Get druggable targets OG5_126684 All targets in OG5_126684
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126684 All targets in OG5_126684
Leishmania major isoleucyl-tRNA synthetase, putative Get druggable targets OG5_126684 All targets in OG5_126684
Mycobacterium leprae isoleucyl-tRNA synthetase IleS Get druggable targets OG5_126684 All targets in OG5_126684
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_126944 All targets in OG5_126944
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic Get druggable targets OG5_126684 All targets in OG5_126684
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus AO66 ankyrin homolog Isoleucyl-tRNA synthetase   50 aa 41 aa 36.6 %
Trichomonas vaginalis conserved hypothetical protein Isoleucyl-tRNA synthetase   50 aa 49 aa 30.6 %
Cryptosporidium hominis hypothetical protein Isoleucyl-tRNA synthetase   50 aa 46 aa 23.9 %
Leishmania major hypothetical protein, conserved Isoleucyl-tRNA synthetase   50 aa 50 aa 26.0 %
Trypanosoma brucei gambiense hypothetical protein, unlikely Isoleucyl-tRNA synthetase   50 aa 50 aa 26.0 %
Onchocerca volvulus Protocadherin-23 homolog Isoleucyl-tRNA synthetase   50 aa 47 aa 40.4 %
Brugia malayi hypothetical protein Isoleucyl-tRNA synthetase   50 aa 43 aa 30.2 %
Cryptosporidium parvum hypothetical protein Isoleucyl-tRNA synthetase   50 aa 46 aa 23.9 %
Trypanosoma cruzi ABC transporter, putative Isoleucyl-tRNA synthetase   50 aa 41 aa 24.4 %
Mycobacterium tuberculosis Probable two component transcriptional regulatory protein TcrX Isoleucyl-tRNA synthetase   50 aa 46 aa 28.3 %
Onchocerca volvulus Isoleucyl-tRNA synthetase   50 aa 46 aa 26.1 %
Brugia malayi Glutamate receptor 2 precursor Isoleucyl-tRNA synthetase   50 aa 43 aa 30.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0054 0.0065 0.0037
Echinococcus granulosus phosphoglycerate mutase 0.0054 0.0065 0.0065
Onchocerca volvulus Protein UBASH3A homolog 0.0054 0.0065 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0065 1
Leishmania major glycerolphosphate mutase, putative 0.0054 0.0065 0.0037
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.137 0.4207 0.419
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3157 0.9829 0.9829
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0065 1
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0054 0.0065 0.0065
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0054 0.0065 1
Mycobacterium leprae probable isochorismate synthase EntC 0.0054 0.0065 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0054 0.0065 0.0063
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3211 1 1
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Mycobacterium leprae conserved hypothetical protein 0.0054 0.0065 1
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0054 0.0065 1
Trypanosoma brucei phosphoglycerate mutase, putative 0.0054 0.0065 0.0037
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0054 0.0065 0.5
Leishmania major phosphoglycerate mutase, putative 0.0054 0.0065 0.0037
Leishmania major hypothetical protein, conserved 0.0054 0.0065 0.0037
Mycobacterium ulcerans lipoprotein LpqD 0.0054 0.0065 0.0063
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3211 1 1
Treponema pallidum phosphoglyceromutase 0.0054 0.0065 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0054 0.0065 1
Mycobacterium leprae Possible phosphoglycerate mutase 0.0054 0.0065 1
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0054 0.0065 0.0065
Echinococcus multilocularis phosphoglycerate mutase 0.0054 0.0065 0.0065
Onchocerca volvulus 0.3211 1 1
Mycobacterium ulcerans hypothetical protein 0.0054 0.0065 0.0063
Schistosoma mansoni 6-phosphofructokinase 0.3211 1 1
Mycobacterium tuberculosis Conserved protein 0.0054 0.0065 0.5
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0054 0.0065 0.0037
Echinococcus granulosus phosphoglycerate mutase 0.0054 0.0065 0.0065
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3211 1 1
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1895 0.5859 1
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0054 0.0065 1
Trypanosoma brucei glycerolphosphate mutase, putative 0.0054 0.0065 0.0037
Leishmania major hypothetical protein, conserved 0.0054 0.0065 0.0037
Mycobacterium ulcerans hydrolase MutT1 0.0054 0.0065 0.0063
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0054 0.0065 1
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0054 0.0065 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3211 1 1
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0054 0.0065 0.0065
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0054 0.0065 0.0037
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0042 0.0028 0.5
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0054 0.0065 0.0037
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0054 0.0065 1
Echinococcus multilocularis phosphoglycerate mutase 0.0054 0.0065 0.0065
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3211 1 1
Echinococcus multilocularis phosphoglycerate mutase 0.0054 0.0065 0.0065
Echinococcus granulosus phosphoglycerate mutase 0.0054 0.0065 0.0065
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Schistosoma mansoni phosphoglycerate mutase 0.0054 0.0065 0.0037
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0054 0.0065 0.0063
Onchocerca volvulus Protein UBASH3A homolog 0.0054 0.0065 0.0065
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0208 0.055 0.055
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0054 0.0065 0.0037
Echinococcus multilocularis phosphoglycerate mutase 0.0054 0.0065 0.0065
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0208 0.055 0.055
Schistosoma mansoni phosphoglycerate mutase 0.0054 0.0065 0.0037
Leishmania major phosphoglycerate mutase protein, putative 0.0054 0.0065 0.0037
Mycobacterium leprae conserved hypothetical protein 0.0054 0.0065 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0065 0.0065
Toxoplasma gondii phosphoglycerate mutase 0.0054 0.0065 1
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0042 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0054 0.0065 0.0037
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0208 0.055 0.0523
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0054 0.0065 0.0037
Echinococcus granulosus phosphoglycerate mutase 0.0054 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0054 0.0065 0.0065
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Loa Loa (eye worm) hypothetical protein 0.3157 0.9829 0.9829
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.137 0.4207 0.419
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0054 0.0065 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3157 0.9829 0.9829
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0208 0.055 0.0523
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0054 0.0065 0.0037
Toxoplasma gondii phosphoglycerate mutase family protein 0.0054 0.0065 1
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0042 0.0028 0.0028
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.137 0.4207 0.419
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0054 0.0065 1
Toxoplasma gondii phosphoglycerate mutase family protein 0.0054 0.0065 1
Loa Loa (eye worm) phosphoglycerate mutase 0.0054 0.0065 0.0065
Mycobacterium ulcerans phosphoglycerate mutase 0.0054 0.0065 0.0063
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0054 0.0065 1
Leishmania major phosphoglycerate mutase family member 5, putative 0.0054 0.0065 0.0037
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Mycobacterium ulcerans phosphoglycerate mutase 0.0054 0.0065 0.0063
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3157 0.9829 0.9829
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0054 0.0065 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.0065 0.0037
Loa Loa (eye worm) hypothetical protein 0.3211 1 1
Brugia malayi phosphoglycerate mutase family protein 0.0054 0.0065 1
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0054 0.0065 0.0065
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1895 0.5859 1
Echinococcus multilocularis phosphoglycerate mutase 0.0054 0.0065 0.0065
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0208 0.055 0.0523
Schistosoma mansoni hypothetical protein 0.0054 0.0065 0.0037
Mycobacterium ulcerans acid phosphatase 0.0054 0.0065 0.0063
Giardia lamblia Hypothetical protein 0.1895 0.5859 1
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0054 0.0065 1
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0054 0.0065 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0054 0.0065 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0054 0.0065 0.0037
Mycobacterium ulcerans phosphoglyceromutase 0.0054 0.0065 0.0063
Echinococcus multilocularis phosphoglycerate mutase 0.0054 0.0065 0.0065
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0042 0.0028 0.0028
Onchocerca volvulus 0.0054 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0208 0.055 0.055
Onchocerca volvulus 0.0054 0.0065 0.0065
Toxoplasma gondii phosphoglycerate mutase family protein 0.0054 0.0065 1
Plasmodium vivax phosphoglucomutase-2, putative 0.0054 0.0065 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0065 0.0065
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0054 0.0065 0.0063
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0054 0.0065 0.0063
Onchocerca volvulus 0.0054 0.0065 0.0065
Giardia lamblia Hypothetical protein 0.1895 0.5859 1
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0054 0.0065 0.0037
Plasmodium vivax phosphoglycerate mutase, putative 0.0054 0.0065 1
Echinococcus granulosus phosphoglycerate mutase 0.0054 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0054 0.0065 0.0037
Onchocerca volvulus Protein UBASH3A homolog 0.0054 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.1841 0.5688 0.5688
Schistosoma mansoni hypothetical protein 0.0054 0.0065 0.0037
Leishmania major hypothetical protein, conserved 0.0054 0.0065 0.0037
Loa Loa (eye worm) hypothetical protein 0.0208 0.055 0.055
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0054 0.0065 0.0037
Schistosoma mansoni hypothetical protein 0.0054 0.0065 0.0037
Loa Loa (eye worm) hypothetical protein 0.0054 0.0065 0.0065
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0054 0.0065 0.0037
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.137 0.4207 0.419
Mycobacterium ulcerans hypothetical protein 0.0054 0.0065 0.0063
Mycobacterium tuberculosis Conserved protein 0.0054 0.0065 0.5
Mycobacterium ulcerans hypothetical protein 0.1895 0.5859 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0054 0.0065 0.5
Brugia malayi UBASH3A protein homolog 0.0054 0.0065 1
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0054 0.0065 0.5
Mycobacterium leprae conserved hypothetical protein 0.0054 0.0065 1
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.3157 0.9829 0.9829
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Plasmodium falciparum phosphoglycerate mutase, putative 0.0054 0.0065 1
Brugia malayi phosphoglycerate mutase family protein 0.0054 0.0065 1
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0054 0.0065 0.0037
Plasmodium falciparum phosphoglucomutase-2 0.0054 0.0065 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0028 0.0028
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0054 0.0065 0.0063
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0054 0.0065 0.0037
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0054 0.0065 1
Onchocerca volvulus Protein UBASH3A homolog 0.0054 0.0065 0.0065
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0054 0.0065 0.0037
Leishmania major hypothetical protein, unknown function 0.0054 0.0065 0.0037
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0054 0.0065 0.0037
Toxoplasma gondii phosphoglycerate mutase family protein 0.0054 0.0065 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 25.5 ng ml-1 Inhibitory concentration of the compound was determined against Isoleucyl-tRNA synthetase (IleRS) activity ChEMBL. 12419362
IC50 (binding) = 25.5 ng ml-1 Inhibitory concentration of the compound was determined against Isoleucyl-tRNA synthetase (IleRS) activity ChEMBL. 12419362
IC50 (binding) = 57.9 ng/ml Inhibition of IleRS ChEMBL. 18519164
Inhibition (functional) > 80 % In vitro inhibition of protein synthesis in srcts-NRK cell at 1 microg/mL ChEMBL. 12419362
Reversion (functional) = 50 % Morphological reversion of src-transformed-NRK cells at 20 ug/mL ChEMBL. 12419362
Reversion (functional) = 50 % Morphological reversion of src-transformed-NRK cells at 10 ug/mL ChEMBL. 12419362
Reversion (functional) > 80 % Morphological reversion of srcts-NRK cells concentration at 100 microg/mL ChEMBL. 12419362
Reversion (functional) > 80 % Morphological reversion of src-transformed-NRK cells at 50 ug/mL ChEMBL. 12419362

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

2 literature references were collected for this gene.

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