Detailed information for compound 1840338

Basic information

Technical information
  • TDR Targets ID: 1840338
  • Name: (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[( 2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methy l]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphe noxy]propane-1,3-diol
  • MW: 556.601 | Formula: C30H36O10
  • H donors: 5 H acceptors: 5 LogP: 2.57 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1[C@H](CO[C@@H]1c1ccc(c(c1)OC)O[C@H]([C@H](c1ccc(c(c1)OC)O)O)CO)Cc1ccc(c(c1)OC)O
  • InChi: 1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3/t20-,21-,28-,29-,30+/m0/s1
  • InChiKey: MWGNJVCCJCKLGJ-MMYMTLEZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1S,2S)-1-(4-hydroxy-3-methoxy-phenyl)-2-[4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-phenoxy]propane-1,3-diol
  • (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxyphenoxy]propane-1,3-diol
  • (1S,2S)-2-[4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxy-benzyl)-3-methylol-tetrahydrofuran-2-yl]-2-methoxy-phenoxy]-1-(4-hydroxy-3-methoxy-phenyl)propane-1,3-diol
  • (1S,2S)-1-(4-hydroxy-3-methoxy-phenyl)-2-[4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxy-phenoxy]propane-1,3-diol

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 multilocularis lysine specific demethylase 5A 0.0028 0.0267 0.025
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.053 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0035 0.041 0.041
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Brugia malayi Bromodomain containing protein 0.0059 0.0867 0.0851
Trypanosoma cruzi DNA polymerase eta, putative 0.0025 0.0209 0.0192
Echinococcus multilocularis geminin 0.0132 0.2296 0.2282
Echinococcus multilocularis expressed protein 0.0026 0.0238 0.0221
Schistosoma mansoni hypothetical protein 0.0023 0.0174 0.0157
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0146 0.2562 0.2549
Trichomonas vaginalis rotamase, putative 0.0026 0.0238 0.0221
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.053 1 1
Leishmania major DNA polymerase eta, putative 0.0035 0.041 0.0393
Schistosoma mansoni hypothetical protein 0.0065 0.0985 0.097
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0025 0.0044
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Loa Loa (eye worm) hypothetical protein 0.0015 0.0031 0.0031
Echinococcus granulosus lipoxygenase domain containing protein 0.0015 0.0031 0.0014
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0025 0.0007
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0025 0.0226 0.0209
Loa Loa (eye worm) hypothetical protein 0.0015 0.0031 0.0031
Schistosoma mansoni lipoxygenase 0.0092 0.1517 0.1502
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0025 0.0226 0.0209
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.0025 0.0029
Toxoplasma gondii PHD-finger domain-containing protein 0.0023 0.0174 0.1111
Echinococcus multilocularis zinc finger protein 0.0015 0.0029 0.0012
Trichomonas vaginalis DNA polymerase eta, putative 0.0015 0.0025 0.0007
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0146 0.2562 0.2549
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0025 0.0007
Trypanosoma brucei DNA polymerase eta, putative 0.0035 0.041 0.0393
Loa Loa (eye worm) hypothetical protein 0.0032 0.0349 0.0349
Schistosoma mansoni hypothetical protein 0.0065 0.0985 0.097
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0025 0.0007
Brugia malayi hypothetical protein 0.0015 0.0031 0.0014
Echinococcus multilocularis peregrin 0.0025 0.021 0.0193
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0174 0.0174
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0015 0.0025 0.0044
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.0226 0.0209
Schistosoma mansoni N-myristoyltransferase 0.053 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0018 0.0074 0.0057
Giardia lamblia DINP protein human, muc B family 0.0015 0.0025 0.0007
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.053 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0023 0.0174 0.0157
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0025 0.0025
Echinococcus granulosus microsomal glutathione S transferase 3 0.0087 0.1425 0.1411
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0028 0.0276 0.0259
Brugia malayi Doublecortin family protein 0.0015 0.0031 0.0014
Echinococcus granulosus jumonji domain containing protein 0.0032 0.0346 0.033
Brugia malayi Bromodomain containing protein 0.0025 0.021 0.0193
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0025 0.0209 0.1359
Plasmodium falciparum LCCL domain-containing protein 0.0015 0.0031 0.0014
Loa Loa (eye worm) hypothetical protein 0.0033 0.0378 0.0378
Echinococcus multilocularis RUN 0.0015 0.0031 0.0014
Echinococcus granulosus geminin 0.0132 0.2296 0.2282
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0065 0.0985 0.097
Leishmania major hypothetical protein, conserved 0.0045 0.0605 0.0589
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0065 0.0985 0.097
Giardia lamblia CDC72 0.053 1 1
Schistosoma mansoni rotamase 0.0026 0.0238 0.0221
Echinococcus granulosus expressed protein 0.0026 0.0238 0.0221
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0381 0.7119 0.7114
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0025 0.0007
Schistosoma mansoni hypothetical protein 0.0065 0.0985 0.097
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Plasmodium vivax multidomain scavenger receptor, putative 0.0015 0.0031 0.0014
Echinococcus granulosus lysine specific demethylase 5A 0.0029 0.0295 0.0279
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Schistosoma mansoni DNA polymerase eta 0.0035 0.041 0.0393
Trichomonas vaginalis rotamase, putative 0.0025 0.0226 0.0209
Toxoplasma gondii MAPEG family protein 0.0087 0.1425 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Loa Loa (eye worm) hypothetical protein 0.0039 0.0489 0.0489
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.0025 0.0029
Brugia malayi PHD-finger family protein 0.0019 0.011 0.0092
Echinococcus multilocularis dna polymerase kappa 0.0015 0.0025 0.0007
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0605 0.0589
Toxoplasma gondii peptidylprolyl isomerase 0.0025 0.0226 0.1483
Loa Loa (eye worm) doublecortin family protein 0.0015 0.0031 0.0031
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0025 0.0007
Brugia malayi ImpB/MucB/SamB family protein 0.0035 0.041 0.0393
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0295 0.0279
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0092 0.1517 0.1502
Treponema pallidum exodeoxyribonuclease (exoA) 0.0015 0.0017 0.5
Leishmania major DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Brugia malayi hypothetical protein 0.0015 0.0031 0.0014
Entamoeba histolytica dual specificity protein phosphatase, putative 0.0454 0.8529 0.8527
Loa Loa (eye worm) hypothetical protein 0.0065 0.0985 0.0985
Echinococcus granulosus peregrin 0.0025 0.021 0.0193
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0146 0.2562 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0015 0.0031 0.0014
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0025 0.0226 0.0209
Echinococcus granulosus RUN 0.0015 0.0031 0.0014
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0065 0.0985 0.097
Schistosoma mansoni polycystin 1-related 0.0015 0.0031 0.0014
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0605 0.0589
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Plasmodium falciparum phd finger protein, putative 0.0023 0.0174 0.0157
Leishmania major DNA polymerase eta, putative 0.0025 0.0209 0.0192
Schistosoma mansoni hypothetical protein 0.0132 0.2296 0.2282
Schistosoma mansoni rab6-interacting 0.0015 0.0031 0.0014
Toxoplasma gondii PHD-finger domain-containing protein 0.0023 0.0174 0.1111
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0605 0.0589
Echinococcus granulosus dna polymerase eta 0.0035 0.041 0.0393
Echinococcus granulosus fetal alzheimer antigen falz 0.0018 0.0074 0.0057
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0087 0.1425 0.1411
Trypanosoma brucei unspecified product 0.0015 0.0025 0.0007
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0015 0.0017 0.0017
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.041 0.0393
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0238 0.0221
Giardia lamblia PHD finger protein 15 0.0023 0.0174 0.0157
Echinococcus multilocularis jumonji domain containing protein 0.0032 0.0346 0.033
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0146 0.2562 0.2549
Entamoeba histolytica deoxycytidyl transferase, putative 0.0015 0.0025 0.0007
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0025 0.0226 0.0209
Trypanosoma brucei N-myristoyl transferase, putative 0.053 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0025 0.0007
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0065 0.0985 0.097
Onchocerca volvulus 0.0146 0.2562 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0146 0.2562 0.2549
Schistosoma mansoni microsomal glutathione s-transferase 0.0087 0.1425 0.1411
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0025 0.0007
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0605 0.0589
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0092 0.1517 0.1502
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0643 0.0643
Echinococcus multilocularis lipoxygenase domain containing protein 0.0015 0.0031 0.0014
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0146 0.2562 0.2549
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0075 0.1177 0.1162
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0015 0.0025 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0605 0.0589
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0065 0.0985 0.097
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0146 0.2562 0.2562
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0047 0.0636 0.062
Brugia malayi PHD-finger family protein 0.0023 0.0174 0.0157
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0065 0.0985 0.097
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0047 0.0636 0.062
Schistosoma mansoni jumonji domain containing protein 0.0059 0.088 0.0864
Trichomonas vaginalis N-myristoyl transferase, putative 0.053 1 1
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0174 0.0157
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0028
Schistosoma mansoni loxhd1 0.0015 0.0031 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Schistosoma mansoni hypothetical protein 0.0015 0.0031 0.0014
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0023 0.0174 0.0157
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0025 0.0007
Echinococcus multilocularis PHD finger protein rhinoceros 0.0023 0.0174 0.0157
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0146 0.2562 0.2549
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Schistosoma mansoni rab6-interacting 0.0015 0.0031 0.0014
Schistosoma mansoni apoptosis regulator bax 0.0065 0.0985 0.097
Echinococcus granulosus dna polymerase kappa 0.0015 0.0025 0.0007
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0028 0.0276 0.0259
Loa Loa (eye worm) N-myristoyltransferase 2 0.053 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0146 0.2562 0.2549
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Trichomonas vaginalis N-myristoyl transferase, putative 0.0348 0.6479 0.6473
Echinococcus granulosus zinc finger protein 0.0015 0.0029 0.0012
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0146 0.2562 0.2549
Echinococcus multilocularis lipoxygenase domain containing protein 0.0015 0.0031 0.0014
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0295 0.0279
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0018 0.0074 0.0057
Loa Loa (eye worm) apoptosis regulator protein 0.0065 0.0985 0.0985
Echinococcus multilocularis dna polymerase eta 0.0035 0.041 0.0393
Loa Loa (eye worm) hypothetical protein 0.003 0.0313 0.0313
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0146 0.2562 0.2549
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0015 0.0017 0.5
Schistosoma mansoni lipoxygenase 0.0064 0.098 0.0964
Echinococcus multilocularis Polycystic kidney disease protein 0.0015 0.0031 0.0014
Brugia malayi jmjC domain containing protein 0.0075 0.1177 0.1162
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0146 0.2562 0.2549
Schistosoma mansoni hypothetical protein 0.0132 0.2296 0.2282
Brugia malayi jmjC domain containing protein 0.0029 0.0295 0.0279
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.053 1 1
Brugia malayi Bromodomain containing protein 0.003 0.0312 0.0295
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0101 0.169 1
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.053 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0075 0.1177 0.1162
Schistosoma mansoni bromodomain containing protein 0.0049 0.069 0.0674
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0026 0.0238 0.0238
Echinococcus granulosus Polycystic kidney disease protein 0.0015 0.0031 0.0014
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0026 0.0238 0.0221
Trypanosoma cruzi N-myristoyl transferase, putative 0.053 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0174
Loa Loa (eye worm) PHD-finger family protein 0.0016 0.0045 0.0045
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0454 0.8529 0.8527
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0025 0.0007
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0015 0.0025 0.0007
Loa Loa (eye worm) hypothetical protein 0.0055 0.0802 0.0802
Leishmania major N-myristoyl transferase, putative 0.053 1 1
Trypanosoma brucei N-myristoyltransferase 0.053 1 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.053 1 1
Onchocerca volvulus Alhambra homolog 0.0023 0.0174 0.0564
Schistosoma mansoni zinc finger protein 0.0015 0.0029 0.0012

Activities

No activities found for this compound.

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

No literature references available for this target.

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