Detailed information for compound 1145774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.49 | Formula: C20H32N4O8
  • H donors: 5 H acceptors: 5 LogP: -2.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O[C@H]([C@@H]1C[C@H]([C@@H](O1)n1ccc(=O)[nH]c1=O)O)CN1CCCCC1
  • InChi: 1S/C20H32N4O8/c21-9-13-16(27)17(28)19(31-13)32-14(10-23-5-2-1-3-6-23)12-8-11(25)18(30-12)24-7-4-15(26)22-20(24)29/h4,7,11-14,16-19,25,27-28H,1-3,5-6,8-10,21H2,(H,22,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1
  • InChiKey: XJMPBSZTCFDASI-YBKIVMFTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0042 0.0105
Schistosoma mansoni lamin 0.003 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0035 0.0128 0.0128
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0263 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.001 0.0025
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0042 0.0042
Schistosoma mansoni cpg binding protein 0.006 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Echinococcus granulosus lamin dm0 0.003 0.0106 0.0106
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.001 0.001
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0043 0.0166 0.0166
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.001 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.001 0.001
Loa Loa (eye worm) RNA binding protein 0.0064 0.0263 0.0263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0432 0.0432
Schistosoma mansoni thyroid hormone receptor 0.001 0.001 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.001 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Schistosoma mansoni na/ca exchanger 0.0054 0.0216 0.0216
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.001 0.0025
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0042 0.0105
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.001 0.0025
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0054 0.0216 0.0216
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0054 0.0216 0.0216
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0133 0.0335
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.063 1
Onchocerca volvulus 0.003 0.0106 0.4345
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.0432 0.0432
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0212 0.0212
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0029 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.001 0.0025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Echinococcus multilocularis cpg binding protein 0.006 0.0246 0.0246
Loa Loa (eye worm) solute carrier family 8 0.2124 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.0017 0.0044 0.0112
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.001 0.001
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.001 0.001
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0263 0.0263
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0043 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.085 0.3978 0.3978
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0263 0.0263
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0802 0.3751 0.3751
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0106 0.0266
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.001 0.001
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0054 0.0216 0.0543
Schistosoma mansoni inositol transporter 0.0043 0.0166 0.0166
Brugia malayi hypothetical protein 0.0035 0.0128 0.0321
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.001 0.001
Echinococcus granulosus cpg binding protein 0.006 0.0246 0.0246
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0046 0.0046
Schistosoma mansoni intermediate filament proteins 0.003 0.0106 0.0106
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.001 0.001
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.0029 0.0029
Echinococcus multilocularis lamin 0.003 0.0106 0.0106
Echinococcus multilocularis lamin dm0 0.003 0.0106 0.0106
Onchocerca volvulus 0.0057 0.023 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0014 0.0029 0.0029
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0042 0.0042
Echinococcus granulosus FTZ F1 alpha 0.001 0.001 0.001
Echinococcus granulosus lamin 0.003 0.0106 0.0106
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0054 0.0216 0.0216
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.001 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Treponema pallidum fructose-bisphosphate aldolase 0.0289 0.1328 1
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0046 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0263 0.0263
Echinococcus multilocularis high affinity choline transporter 1 0.039 0.1806 0.1806
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0106 0.0106
Brugia malayi intermediate filament protein 0.003 0.0106 0.0266
Brugia malayi ecdysteroid receptor 0.001 0.001 0.0025
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.001 0.001
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.001 0.0025
Loa Loa (eye worm) hypothetical protein 0.0053 0.0212 0.0212
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0128 0.0128
Schistosoma mansoni inositol transporter 0.0043 0.0166 0.0166
Schistosoma mansoni sodium/solute symporter 0.0043 0.0166 0.0166
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0216 0.1127
Onchocerca volvulus 0.0043 0.0166 0.7079
Loa Loa (eye worm) steroid hormone receptor 0.001 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0017 0.0042 0.0042
Schistosoma mansoni cpg binding protein 0.006 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0014 0.0029 0.0029
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0054 0.0216 0.0216
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0263 0.0263
Echinococcus granulosus intermediate filament protein 0.003 0.0106 0.0106
Schistosoma mansoni nuclear hormone receptor 0.001 0.001 0.001
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.001 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.001 0.001
Brugia malayi GH02984p 0.039 0.1806 0.4541
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0029 0.0029
Schistosoma mansoni lamin 0.003 0.0106 0.0106
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.1328 1
Loa Loa (eye worm) hypothetical protein 0.039 0.1806 0.1806
Echinococcus multilocularis solute carrier family 5 0.0043 0.0166 0.0166
Schistosoma mansoni thyroid hormone receptor 0.001 0.001 0.001
Schistosoma mansoni cpg binding protein 0.0057 0.023 0.023
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.001 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0036 0.0133 0.0133
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.001 0.001
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0375 0.1733 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0216 0.1127
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.001 0.001
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0054 0.0216 0.0735
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.023 0.023
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0054 0.0216 0.0216
Brugia malayi Sodium:solute symporter family protein 0.0043 0.0166 0.0417
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0212 0.0534
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0054 0.0216 0.0216
Schistosoma mansoni mixed-lineage leukemia protein mll 0.012 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.003 0.0106 0.0106
Echinococcus granulosus sodium:glucose cotransporter 0.0043 0.0166 0.0166
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0128 0.0128
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.0432 0.1085
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0054 0.0216 0.0216
Echinococcus granulosus tar DNA binding protein 0.0064 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Brugia malayi Steroid receptor seven-up type 2 0.001 0.001 0.0025
Echinococcus granulosus mixed lineage leukemia protein mll 0.0014 0.0029 0.0029
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0375 0.1733 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0017 0.0042 0.0042
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0054 0.0216 0.0216
Brugia malayi Sodium/calcium exchanger protein 0.085 0.3978 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0042 0.0042
Loa Loa (eye worm) intermediate filament protein 0.003 0.0106 0.0106
Brugia malayi nuclear hormone receptor 0.001 0.001 0.0025
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.001 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.001 0.0025
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0054 0.0216 0.0216
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.001 0.0025
Echinococcus granulosus high affinity choline transporter 1 0.039 0.1806 0.1806
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0263 0.0661
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.001 0.001
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.001 0.001
Toxoplasma gondii histone lysine methyltransferase SET1 0.0107 0.047 1
Brugia malayi nuclear receptor NHR-88 0.001 0.001 0.0025
Echinococcus multilocularis musashi 0.003 0.0106 0.0106
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0042 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.001 0.0025
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0128 0.0128
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0043 0.0166 0.0166
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0216 0.1127
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0039 0.0039
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0043 0.0166 0.0166
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.001 0.001
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0511 0.0511
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0001 0.0001
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0054 0.0216 0.0216
Giardia lamblia Fructose-bisphosphate aldolase 0.0289 0.1328 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.001 0.0025
Plasmodium falciparum cation/H+ antiporter 0.0054 0.0216 0.5
Echinococcus multilocularis FTZ F1 alpha 0.001 0.001 0.001
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0054 0.0216 0.9347
Echinococcus granulosus solute carrier family 5 0.0043 0.0166 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.001 0.0025
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0046 0.0046
Brugia malayi RNA binding protein 0.0064 0.0263 0.0661
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0432 0.0432
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.001 0.001
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.001 0.001
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.063 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.001 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1328 0.7631
Brugia malayi CXXC zinc finger family protein 0.0057 0.023 0.0579
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.001 0.001
Toxoplasma gondii manganese resistance 1 protein, putative 0.0054 0.0216 0.1645
Schistosoma mansoni hypothetical protein 0.0054 0.0216 0.0216
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0054 0.0216 0.0543
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.001 0.001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0212 0.0534
Loa Loa (eye worm) hypothetical protein 0.003 0.0103 0.0103
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0032 0.0032
Echinococcus granulosus GPCR family 2 0.0017 0.0042 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.001 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.001 0.0025
Brugia malayi MH2 domain containing protein 0.0116 0.0511 0.1284
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0032 0.0032
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0015 0.0032 0.0032
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.1328 1
Schistosoma mansoni high-affinity choline transporter 0.039 0.1806 0.1806
Echinococcus multilocularis sodium calcium exchanger 0.2124 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.001 0.001
Brugia malayi TAR-binding protein 0.0064 0.0263 0.0661
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0039 0.0099
Onchocerca volvulus 0.003 0.0106 0.4345
Echinococcus multilocularis GPCR, family 2 0.0017 0.0042 0.0042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0432 0.0432
Echinococcus granulosus sodium:glucose cotransporter 2 0.0043 0.0166 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.001 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0263 0.0263
Schistosoma mansoni hypothetical protein 0.0036 0.0133 0.0133
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.001 0.001
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.001 0.0025
Brugia malayi steroid hormone receptor 0.001 0.001 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0432 0.0432
Schistosoma mansoni hypothetical protein 0.0017 0.0042 0.0042
Schistosoma mansoni sodium/calcium exchanger 0.2124 1 1
Schistosoma mansoni coup transcription factor 0.001 0.001 0.001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.001 0.001
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.063 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0511 0.0511
Loa Loa (eye worm) hypothetical protein 0.0043 0.0166 0.0166
Schistosoma mansoni hypothetical protein 0.0017 0.0042 0.0042
Plasmodium vivax cation/H+ antiporter, putative 0.0054 0.0216 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.001 0.001
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0432 0.0432
Echinococcus granulosus sodium:myo inositol cotransporter 0.0043 0.0166 0.0166
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0014 0.0029 0.0029

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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