Detailed information for compound 1775572

Basic information

Technical information
  • TDR Targets ID: 1775572
  • Name: [4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]- 2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 4-f luorobenzoate
  • MW: 494.508 | Formula: C28H27FO7
  • H donors: 0 H acceptors: 2 LogP: 5.45 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC(=O)c1ccc(cc1)F)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)OC
  • InChi: 1S/C28H27FO7/c1-32-23-10-4-17(14-25(23)33-2)12-20-16-35-28(31)22(20)13-18-5-11-24(26(15-18)34-3)36-27(30)19-6-8-21(29)9-7-19/h4-11,14-15,20,22H,12-13,16H2,1-3H3/t20-,22+/m0/s1
  • InChiKey: QYYUPPGLQWTHAW-RBBKRZOGSA-N  

Network

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Synonyms

  • [4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxo-tetrahydrofuran-3-yl]methyl]-2-methoxy-phenyl] 4-fluorobenzoate
  • 4-fluorobenzoic acid [4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxo-3-tetrahydrofuranyl]methyl]-2-methoxyphenyl] ester
  • 4-fluorobenzoic acid [4-[[(3R,4R)-4-(3,4-dimethoxybenzyl)-2-keto-tetrahydrofuran-3-yl]methyl]-2-methoxy-phenyl] ester
  • [4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxo-oxolan-3-yl]methyl]-2-methoxy-phenyl] 4-fluorobenzoate

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 nuclear receptor NHR-88 0.0124 0.0521 0.0533
Loa Loa (eye worm) hypothetical protein 0.0065 0.0255 0.0261
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0226 0.1319
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0124 0.0521 0.0535
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0124 0.0521 0.0533
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0226 0.1139
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0124 0.0521 0.3066
Schistosoma mansoni thyroid hormone receptor 0.0124 0.0521 0.262
Loa Loa (eye worm) steroid hormone receptor 0.0124 0.0521 0.0535
Schistosoma mansoni retinoic acid receptor RXR 0.0446 0.1988 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.06 0.3537
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 0.0255 0.1282
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.06 0.302
Brugia malayi nuclear receptor RXR 0.0065 0.0255 0.0259
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0124 0.0521 0.2605
Brugia malayi Cytochrome P450 family protein 0.0048 0.0173 0.0175
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0058 0.0223 0.1103
Schistosoma mansoni hypothetical protein 0.001 0.0004 0.002
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0124 0.0521 0.0535
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0045 0.0242
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0045 0.0044
Brugia malayi tailless protein 0.0058 0.0223 0.0226
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0045 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0226 1
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0004 0.0002
Brugia malayi nuclear hormone receptor family member odr-7 0.0058 0.0223 0.0226
Schistosoma mansoni nuclear receptor 0.0058 0.0223 0.1121
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0226 0.1121
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0124 0.0521 0.3066
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0058 0.0223 0.1298
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.016 0.0786
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0124 0.0521 0.3066
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.013 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0255 0.0261
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0124 0.0521 0.2605
Echinococcus granulosus Nuclear hormone receptor HR96 0.0058 0.0223 0.1103
Echinococcus granulosus Nuclear hormone receptor HR96 0.0058 0.0223 0.1103
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0124 0.0521 0.0533
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Echinococcus granulosus nuclear receptor nhr 48 0.0058 0.0223 0.1103
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0226 1
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.0255 0.0259
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0124 0.0521 0.0533
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0004 0.053
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.013 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0124 0.0521 0.3066
Brugia malayi photoreceptor-specific nuclear receptor 0.0124 0.0521 0.0533
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.06 0.0615
Schistosoma mansoni steroid hormone receptor ad4bp 0.0124 0.0521 0.262
Loa Loa (eye worm) nuclear receptor nhr-7B 0.214 0.9702 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0124 0.0521 0.0533
Mycobacterium leprae putative cytochrome p450 0.001 0.0004 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0058 0.0223 0.1103
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0124 0.0521 0.2605
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.0255 0.0259
Loa Loa (eye worm) cytochrome P450 0.001 0.0004 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.016 0.0805
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0124 0.0521 0.0533
Brugia malayi ecdysone receptor 0.0058 0.0223 0.0226
Schistosoma mansoni coup transcription factor 0.0124 0.0521 0.262
Schistosoma mansoni nuclear receptor nhr-48 0.0058 0.0223 0.1121
Trypanosoma cruzi cytochrome p450-like protein, putative 0.001 0.0004 0.053
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0045 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0226 1
Echinococcus multilocularis bloom syndrome protein 0.0019 0.0045 0.0242
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0124 0.0521 0.262
Schistosoma mansoni nuclear receptor 0.0058 0.0223 0.1121
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0124 0.0521 0.262
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0146 1
Loa Loa (eye worm) CYP4Cod1 0.001 0.0004 0.0002
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0065 0.0255 0.1282
Brugia malayi steroid hormone receptor 0.0124 0.0521 0.0533
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0146 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0124 0.0521 0.0535
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Onchocerca volvulus Protein ultraspiracle homolog 0.0124 0.0521 0.0305
Brugia malayi nuclear receptor RXR 0.0058 0.0223 0.0226
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0124 0.0521 0.262
Entamoeba histolytica recQ family DNA helicase 0.001 0.0002 0.0131
Mycobacterium leprae Conserved hypothetical protein 0.001 0.0004 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.0255 0.0261
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0058 0.0223 0.1298
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Schistosoma mansoni nuclear hormone receptor 0.0058 0.0223 0.1121
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.001 0.0004 0.053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0124 0.0521 0.0535
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0173 0.0177
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0124 0.0521 0.0533
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Toxoplasma gondii cytochrome p450 superfamily protein 0.001 0.0004 0.0176
Brugia malayi Nuclear hormone receptor-like 1 0.0124 0.0521 0.0533
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0045 1
Loa Loa (eye worm) acetyltransferase 0.0141 0.06 0.0617
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0124 0.0521 0.0533
Loa Loa (eye worm) hypothetical protein 0.0065 0.0255 0.0261
Echinococcus multilocularis FTZ F1 alpha 0.0124 0.0521 0.3066
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0045 0.0206
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0226 0.1139
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0045 0.1837
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Loa Loa (eye worm) nuclear hormone receptor 0.0058 0.0223 0.0228
Schistosoma mansoni DNA helicase recq5 0.0019 0.0045 0.0226
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0124 0.0521 0.2605
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0004 0.053
Brugia malayi conserved hypotetical protein 0.0058 0.0223 0.0226
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0146 0.6452
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0058 0.0223 0.1121
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0058 0.0223 0.1121
Schistosoma mansoni nuclear hormone receptor 0.0058 0.0223 0.1121
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0124 0.0521 0.0533
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0002 0.0075
Echinococcus multilocularis thyroid hormone receptor alpha 0.0124 0.0521 0.3066
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0124 0.0521 0.0533
Loa Loa (eye worm) DR-78 0.0058 0.0223 0.0228
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Echinococcus granulosus FTZ F1 alpha 0.0124 0.0521 0.2605
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0045 0.3441
Brugia malayi hypothetical protein 0.0058 0.0223 0.0226
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0124 0.0521 0.2605
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.016 0.0163
Onchocerca volvulus Bile acid receptor homolog 0.0124 0.0521 0.0305
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0045 0.1981
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.001 0.0004 0.053
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0045 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0058 0.0223 0.1298
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0124 0.0521 0.2605
Schistosoma mansoni zinc finger protein 0.0058 0.0223 0.1121
Echinococcus multilocularis nuclear receptor nhr 48 0.0058 0.0223 0.1298
Brugia malayi hypothetical protein 0.0058 0.0223 0.0226
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0002 0.5
Brugia malayi nuclear hormone receptor 0.214 0.9702 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0058 0.0223 0.1298
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0124 0.0521 0.262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0124 0.0521 0.0535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.016 0.0161
Schistosoma mansoni nuclear hormone receptor 0.0124 0.0521 0.262
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0004 0.0002
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0002 0.0117
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0124 0.0521 0.3066
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.016 0.0925
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.0582 0.2915
Brugia malayi Steroid receptor seven-up type 2 0.0124 0.0521 0.0533
Schistosoma mansoni RAR-like nuclear receptor 0.0124 0.0521 0.262
Brugia malayi nuclear hormone receptor family member nhr-6 0.0058 0.0223 0.0226
Loa Loa (eye worm) hypothetical protein 0.0019 0.0045 0.0044
Schistosoma mansoni DNA helicase recq1 0.0019 0.0045 0.0226
Brugia malayi Nuclear hormone receptor E75 0.0058 0.0223 0.0226
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0381 0.169 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0065 0.0255 0.1264
Brugia malayi ecdysteroid receptor 0.0124 0.0521 0.0533
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0002 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0124 0.0521 0.0533
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0124 0.0521 0.0533
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Loa Loa (eye worm) hypothetical protein 0.0065 0.0255 0.0261
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0226 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0146 0.6452
Loa Loa (eye worm) RecQ helicase 0.0019 0.0045 0.0044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0058 0.0223 0.1103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.016 0.0805
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.0045 0.0042
Echinococcus granulosus ecdysone induced protein 78C 0.0124 0.0521 0.2605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.016 0.0805
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0124 0.0521 0.0535
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Schistosoma mansoni cytochrome P450 0.001 0.0004 0.002
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0124 0.0521 0.262
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0446 0.1988 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0124 0.0521 0.0533
Loa Loa (eye worm) hypothetical protein 0.0124 0.0521 0.0535
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.000000000037402
Loa Loa (eye worm) nuclear receptor NHR-67 0.0058 0.0223 0.0228
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0065 0.0255 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0124 0.0521 0.0533
Brugia malayi Nuclear hormone receptor E75 0.0058 0.0223 0.0226
Brugia malayi hypothetical protein 0.0065 0.0255 0.0259
Brugia malayi hypothetical protein 0.0065 0.0255 0.0259
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0124 0.0521 0.3066
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0124 0.0521 0.262
Loa Loa (eye worm) hypothetical protein 0.0058 0.0223 0.0228
Brugia malayi nuclear receptor NHR-88 0.0058 0.0223 0.0226
Brugia malayi nuclear receptor NHR-67 0.0058 0.0223 0.0226
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0058 0.0223 0.0226
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0045 0.1981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0124 0.0521 0.0535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.016 0.0786
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0045 0.0206
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0045 0.0242
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0146 1
Schistosoma mansoni thyroid hormone receptor 0.0124 0.0521 0.262
Brugia malayi nuclear hormone receptor 0.0124 0.0521 0.0533
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0065 0.0255 0.1488
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0226 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0146 0.0716
Onchocerca volvulus 0.0124 0.0521 0.0305
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.016 0.0925
Echinococcus granulosus bloom syndrome protein 0.0019 0.0045 0.0206
Loa Loa (eye worm) hypothetical protein 0.2082 0.9436 0.9726
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.013 1
Brugia malayi orphan nuclear receptor NR2E1 0.0058 0.0223 0.0226
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0124 0.0521 0.3066

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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