Detailed information for compound 44529

Basic information

Technical information
  • TDR Targets ID: 44529
  • Name: (3R,8aR)-3-[[tert-butyl(diphenyl)silyl]oxymet hyl]-8a-methoxy-3,6,6,8,8-pentamethyl-1,2-ben zodioxine-5,7-dione
  • MW: 536.731 | Formula: C31H40O6Si
  • H donors: 0 H acceptors: 2 LogP: 6.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@]12OO[C@@](C=C1C(=O)C(C(=O)C2(C)C)(C)C)(C)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
  • InChi: 1S/C31H40O6Si/c1-27(2,3)38(22-16-12-10-13-17-22,23-18-14-11-15-19-23)35-21-30(8)20-24-25(32)28(4,5)26(33)29(6,7)31(24,34-9)37-36-30/h10-20H,21H2,1-9H3/t30-,31+/m1/s1
  • InChiKey: KMWRGFLHLJJULY-JSOSNVBQSA-N  

Network

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Synonyms

  • (3R,8aR)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-8a-methoxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-quinone
  • (3R,8aR)-3-[(tert-butyl-di(phenyl)silyl)oxymethyl]-8a-methoxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
  • (3R,8aR)-3-[(tert-butyl-di(phenyl)silyl)oxymethyl]-8a-methoxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-quinone

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 fmrfamide receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.4783 1 1
Brugia malayi Dopamine receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Schistosoma mansoni lamin 0.0026 0.0029 0.0489
Echinococcus granulosus hypothetical protein 0.0019 0.0014 0.0297
Schistosoma mansoni hypothetical protein 0.0047 0.0072 0.1908
Onchocerca volvulus 0.0026 0.0029 0.2562
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0072 0.007
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0019 0.0014 0.0297
Echinococcus granulosus g-protein coupled receptor 0.0019 0.0014 0.0297
Echinococcus granulosus neuropeptide FF receptor 2 0.0019 0.0014 0.0297
Loa Loa (eye worm) G-protein coupled receptor 0.0019 0.0014 0.0014
Schistosoma mansoni survival motor neuron protein 0.0047 0.0072 0.1908
Brugia malayi intermediate filament protein 0.0026 0.0029 0.0026
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus neuropeptide s receptor 0.0019 0.0014 0.0297
Echinococcus granulosus allatostatin A receptor 0.0019 0.0014 0.0297
Brugia malayi hypothetical protein 0.0119 0.0224 0.0221
Brugia malayi RE15519p 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0026 0.0029 0.0029
Echinococcus multilocularis g protein coupled receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0019 0.0014 0.0014
Echinococcus granulosus orexin receptor type 2 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis neuropeptide Y receptor 0.0019 0.0014 0.0297
Brugia malayi Serotonin receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.418779 0.5 0.5
Brugia malayi GnHR receptor homolog 0.0019 0.0014 0.0011
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0019 0.0014 0.0011
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0019 0.0014 0.0297
Schistosoma mansoni lamin 0.0026 0.0029 0.0489
Echinococcus granulosus g protein coupled receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Brugia malayi neuropeptide F receptor 0.0019 0.0014 0.0011
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus neuropeptides capa receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0029 0.0026
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0019 0.0014 0.0297
Loa Loa (eye worm) neuropeptide F receptor 0.0019 0.0014 0.0014
Echinococcus granulosus neuropeptide receptor 0.0019 0.0014 0.0297
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Brugia malayi hypothetical protein 0.0035 0.0047 0.0044
Echinococcus multilocularis fmrfamide receptor 0.0019 0.0014 0.0297
Echinococcus multilocularis neuropeptides capa receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0019 0.0014 0.0297
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0047 0.1028
Entamoeba histolytica hypothetical protein 0.0035 0.0047 0.5
Onchocerca volvulus 0.0026 0.0029 0.2562
Echinococcus multilocularis G-protein coupled receptor, putative 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.4783 1 1
Echinococcus multilocularis musashi 0.0026 0.0029 0.0624
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.418779 0.5 0.5
Echinococcus multilocularis lamin 0.0026 0.0029 0.0624
Echinococcus multilocularis g protein coupled receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus tachykinin peptides receptor 99D 0.0019 0.0014 0.0297
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0019 0.0014 0.0297
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0019 0.0014 0.0297
Brugia malayi Serotonin receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0245 0.0487 0.0487
Echinococcus multilocularis sex peptide receptor 0.0019 0.0014 0.0297
Echinococcus granulosus geminin 0.0166 0.0322 0.7001
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Brugia malayi ORL1-like opioid receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.4783 1 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.0626 0.0626
Echinococcus granulosus dro:myosuppressin receptor 0.0019 0.0014 0.0297
Brugia malayi G-protein coupled receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Brugia malayi NNMT/PNMT/TEMT family protein 0.418779 0.5 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0019 0.0014 0.0297
Echinococcus granulosus g protein coupled receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0019 0.0014 0.0014
Echinococcus granulosus peptide allatostatin:somatostatin 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis neuropeptide receptor 0.0019 0.0014 0.0297
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0019 0.0014 0.0297
Brugia malayi Dopamine receptor protein 2 0.0019 0.0014 0.0011
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0019 0.0014 0.0014
Echinococcus granulosus biogenic amine 5HT receptor 0.0019 0.0014 0.0297
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0019 0.0014 0.0011
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Entamoeba histolytica hypothetical protein 0.0035 0.0047 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0019 0.0014 0.0297
Echinococcus multilocularis g-protein coupled receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Brugia malayi follicle stimulating hormone receptor 0.0245 0.0487 0.0484
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0047 0.109
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0019 0.0014 0.0011
Schistosoma mansoni hypothetical protein 0.0166 0.0322 1
Onchocerca volvulus 0.0047 0.0072 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0019 0.0014 0.0297
Brugia malayi Tachykinin-like peptides receptor 99D 0.0019 0.0014 0.0011
Echinococcus granulosus neuropeptides capa receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) neuropeptide F receptor 0.0019 0.0014 0.0014
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0029 0.0029
Echinococcus granulosus 7TM GPCR rhodopsin 0.0019 0.0014 0.0297
Echinococcus granulosus lamin 0.0026 0.0029 0.0624
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0019 0.0014 0.0297
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0019 0.0014 0.0297
Echinococcus multilocularis neuropeptides capa receptor 0.0019 0.0014 0.0297
Echinococcus multilocularis serotonin receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus tm gpcr rhodopsin 0.0019 0.0014 0.0297
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0047 0.1028
Brugia malayi G-protein coupled receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis G protein coupled receptor 139 0.0019 0.0014 0.0297
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.046 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0019 0.0014 0.0297
Echinococcus granulosus 7tm_1 domain containing protein 0.0019 0.0014 0.0297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0003 0.0003
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0019 0.0014 0.0011
Brugia malayi hypothetical protein 0.0232 0.046 0.0457
Echinococcus multilocularis somatostatin receptor 0.0019 0.0014 0.0297
Brugia malayi putative neuropeptide receptor 0.0019 0.0014 0.0011
Echinococcus multilocularis neuropeptide receptor A26 0.0019 0.0014 0.0297
Echinococcus granulosus intermediate filament protein 0.0026 0.0029 0.0624
Echinococcus multilocularis allatostatin A receptor 0.0019 0.0014 0.0297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0019 0.0014 0.0297
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.046 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0019 0.0014 0.0297
Entamoeba histolytica hypothetical protein 0.0035 0.0047 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0019 0.0014 0.0297
Schistosoma mansoni hypothetical protein 0.0035 0.0047 0.109
Loa Loa (eye worm) hypothetical protein 0.0232 0.046 0.046
Echinococcus multilocularis neuropeptide FF receptor 2 0.0019 0.0014 0.0297
Echinococcus multilocularis neuropeptide Y receptor 0.0019 0.0014 0.0297
Echinococcus multilocularis dro:myosuppressin receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) melatonin receptor type 1A 0.0019 0.0014 0.0014
Brugia malayi sulfakinin receptor protein 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus sex peptide receptor 0.0019 0.0014 0.0297
Echinococcus multilocularis serotonin receptor 0.0019 0.0014 0.0297
Echinococcus granulosus neuropeptide Y receptor 0.0019 0.0014 0.0297
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0019 0.0014 0.0297
Brugia malayi Melatonin receptor type 1A 0.0019 0.0014 0.0011
Echinococcus granulosus tm gpcr rhodopsin 0.0019 0.0014 0.0297
Brugia malayi G protein-coupled receptor 0.0019 0.0014 0.0011
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis neuropeptide s receptor 0.0019 0.0014 0.0297
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Brugia malayi larval opioid receptor 0.0019 0.0014 0.0011
Echinococcus granulosus lamin dm0 0.0026 0.0029 0.0624
Brugia malayi putative neuropeptide receptor NPR1 0.0019 0.0014 0.0011
Echinococcus multilocularis geminin 0.0166 0.0322 0.7001
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0019 0.0014 0.0297
Loa Loa (eye worm) TYRA-2 protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Entamoeba histolytica hypothetical protein 0.0035 0.0047 0.5
Brugia malayi hypothetical protein 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus g protein coupled receptor 0.0019 0.0014 0.0297
Brugia malayi neuropeptide F receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus serotonin receptor 0.0019 0.0014 0.0297
Echinococcus multilocularis neuropeptide receptor 0.0019 0.0014 0.0297
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0019 0.0014 0.0297
Echinococcus granulosus neuropeptide receptor 0.0019 0.0014 0.0297
Schistosoma mansoni intermediate filament proteins 0.0026 0.0029 0.0489
Echinococcus multilocularis g protein coupled receptor 0.0019 0.0014 0.0297
Brugia malayi AKH receptor 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0026 0.0028 0.0028
Loa Loa (eye worm) G-protein coupled receptor 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis orexin receptor type 2 0.0019 0.0014 0.0297
Echinococcus granulosus somatostatin receptor 0.0019 0.0014 0.0297
Schistosoma mansoni hypothetical protein 0.0166 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.418779 0.5 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0019 0.0014 0.0297
Echinococcus granulosus biogenic amine 5HT receptor 0.0019 0.0014 0.0297
Echinococcus granulosus tm gpcr rhodopsin 0.0019 0.0014 0.0297
Echinococcus granulosus fmrfamide receptor 0.0019 0.0014 0.0297
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Brugia malayi G protein-coupled receptor F59B2.13 0.0019 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0014 0.0297
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0019 0.0014 0.0011
Echinococcus granulosus alpha 1A adrenergic receptor 0.0019 0.0014 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis lamin dm0 0.0026 0.0029 0.0624
Brugia malayi Dopamine receptor protein 1 0.0019 0.0014 0.0011

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.5 uM In vitro inhibition of Plasmodium falciparum growth was determined by using incorporated [3H]- hypoxanthine ChEMBL. 15006377
IC50 (functional) = 1.5 uM In vitro inhibition of Plasmodium falciparum growth was determined by using incorporated [3H]- hypoxanthine ChEMBL. 15006377

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 15006377

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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