Detailed information for compound 877403

Basic information

Technical information
  • TDR Targets ID: 877403
  • Name: 2-[3-(1-benzofuran-2-yl)-4-oxo-6-propylchrome n-7-yl]oxyacetic acid
  • MW: 378.375 | Formula: C22H18O6
  • H donors: 1 H acceptors: 3 LogP: 4.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc2c(cc1OCC(=O)O)occ(c2=O)c1cc2c(o1)cccc2
  • InChi: 1S/C22H18O6/c1-2-5-13-8-15-19(10-18(13)27-12-21(23)24)26-11-16(22(15)25)20-9-14-6-3-4-7-17(14)28-20/h3-4,6-11H,2,5,12H2,1H3,(H,23,24)
  • InChiKey: NULDYROKPPXNJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(benzofuran-2-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetic acid
  • 2-[[3-(2-benzofuranyl)-4-oxo-6-propyl-7-chromenyl]oxy]acetic acid
  • 2-[3-(benzofuran-2-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetic acid
  • 2-[3-(1-benzofuran-2-yl)-4-oxo-6-propyl-chromen-7-yl]oxyethanoic acid
  • Oprea1_424661

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 histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0015 0.001 0.001
Schistosoma mansoni chromobox protein 0.0059 0.0343 0.0343
Brugia malayi Bromodomain containing protein 0.0035 0.0157 0.0416
Schistosoma mansoni hypothetical protein 0.0028 0.0103 0.0103
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0033 0.0141 0.0141
Leishmania major phosphopantetheinyl transferase-like protein 0.0021 0.0053 0.1035
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0231 0.0759
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.001 0.001
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0021 0.0053 1
Echinococcus granulosus jun protein 0.0422 0.3129 0.3129
Schistosoma mansoni hypothetical protein 0.0143 0.0991 0.0991
Mycobacterium leprae conserved hypothetical protein 0.0021 0.0053 0.5
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.0171 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0187 0.0616
Schistosoma mansoni chromobox protein 0.0059 0.0343 0.0343
Loa Loa (eye worm) doublecortin family protein 0.0018 0.0028 0.0092
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0021 0.0053 0.5
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0075 0.0468 0.1419
Loa Loa (eye worm) hypothetical protein 0.0028 0.0103 0.0339
Loa Loa (eye worm) hypothetical protein 0.0035 0.0157 0.0518
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0037 0.0174 0.0572
Loa Loa (eye worm) hypothetical protein 0.0075 0.0468 0.154
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0021 0.0053 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0054 0.0306 0.0306
Loa Loa (eye worm) PHD-finger family protein 0.0019 0.0034 0.0113
Echinococcus granulosus nuclear factor of activated T cells 5 0.0216 0.1549 0.1549
Schistosoma mansoni zinc finger protein 0.0018 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.006 0.0349 0.0349
Echinococcus multilocularis GPCR, family 2 0.0028 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0033 0.0145 0.0476
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0031
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0021 0.0053 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0028 0.0092
Echinococcus granulosus lipoxygenase domain containing protein 0.0018 0.0028 0.0028
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0171 1
Echinococcus granulosus fetal alzheimer antigen falz 0.002 0.0048 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0015 0.001 0.001
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0171 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0015 0.001 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0145 0.2714
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0053 0.1035
Echinococcus multilocularis RUN 0.0018 0.0028 0.0028
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0216 0.1549 0.1549
Loa Loa (eye worm) hypothetical protein 0.0026 0.009 0.0296
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0087 0.0561 0.1844
Schistosoma mansoni lipoxygenase 0.0075 0.0463 0.0463
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.002 0.0048 0.0048
Trichomonas vaginalis chromobox protein, putative 0.0036 0.0164 0.3419
Echinococcus granulosus GPCR family 2 0.0028 0.0103 0.0103
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0028 0.0103 0.0103
Onchocerca volvulus 0.0331 0.2434 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0028 0.0103 0.0242
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0028 0.0103 0.0103
Echinococcus multilocularis fetal alzheimer antigen, falz 0.002 0.0048 0.0048
Brugia malayi Heterochromatin protein 1 0.0059 0.0343 0.1017
Onchocerca volvulus 0.0026 0.009 0.0257
Brugia malayi hypothetical protein 0.0331 0.2434 0.7758
Echinococcus granulosus RUN 0.0018 0.0028 0.0028
Schistosoma mansoni loxhd1 0.0018 0.0028 0.0028
Schistosoma mansoni jun-related protein 0.0343 0.2523 0.2523
Echinococcus multilocularis lipoxygenase domain containing protein 0.0018 0.0028 0.0028
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0021 0.0053 0.178
Loa Loa (eye worm) CYP4Cod1 0.0019 0.004 0.0131
Brugia malayi chromobox protein homolog 3 0.0033 0.0145 0.0376
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0015 0.001 0.001
Onchocerca volvulus 0.0075 0.0468 0.183
Schistosoma mansoni hypothetical protein 0.0028 0.0103 0.0103
Brugia malayi Cytochrome P450 family protein 0.0044 0.0231 0.0654
Echinococcus multilocularis lipoxygenase domain containing protein 0.0018 0.0028 0.0028
Entamoeba histolytica hypothetical protein 0.0021 0.0053 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0349 0.1147
Echinococcus granulosus methyl CpG binding domain protein 2 0.0015 0.001 0.001
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0033 0.0145 0.0485
Schistosoma mansoni bromodomain containing protein 0.0057 0.033 0.033
Echinococcus multilocularis Polycystic kidney disease protein 0.0018 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0028 0.0103 0.0103
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0107 0.071 0.071
Echinococcus multilocularis geminin 0.0143 0.0991 0.0991
Schistosoma mansoni hypothetical protein 0.0343 0.2523 0.2523
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0075 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0018 0.0028 0.0092
Schistosoma mansoni hypothetical protein 0.0028 0.0103 0.0103
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0087 0.0561 0.1718
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0054 0.0306 0.0306
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.004 0.0131
Echinococcus multilocularis zinc finger protein 0.0018 0.0027 0.0027
Brugia malayi Cytochrome P450 family protein 0.0019 0.004 0.0038
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0036 0.0171 0.0171
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0422 0.3129 0.3129
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0422 0.3129 0.3129
Echinococcus multilocularis microtubule associated protein 2 0.1318 1 1
Echinococcus granulosus geminin 0.0143 0.0991 0.0991
Loa Loa (eye worm) hypothetical protein 0.0411 0.3041 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0021 0.0053 1
Schistosoma mansoni rab6-interacting 0.0018 0.0028 0.0028
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.004 0.0131
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0021 0.0053 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.0171 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0028 0.0103 0.0103
Echinococcus multilocularis chromobox protein 1 0.0059 0.0343 0.0343
Brugia malayi latrophilin 2 splice variant baaae 0.006 0.0349 0.1035
Brugia malayi bZIP transcription factor family protein 0.0422 0.3129 1
Trichomonas vaginalis chromobox protein, putative 0.0059 0.0343 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0777 0.5852 0.5852
Loa Loa (eye worm) hypothetical protein 0.0064 0.0382 0.1256
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.1844
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0028 0.0103 0.0103
Echinococcus granulosus L aminoadipate semialdehyde 0.0075 0.0468 0.0468
Loa Loa (eye worm) latrophilin receptor protein 2 0.0028 0.0103 0.0339
Trichomonas vaginalis chromobox protein, putative 0.0036 0.0164 0.3419
Brugia malayi Latrophilin receptor protein 2 0.0028 0.0103 0.0242
Echinococcus multilocularis L aminoadipate semialdehyde 0.0075 0.0468 0.0468
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0034
Brugia malayi Cytochrome P450 family protein 0.0019 0.004 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0145 0.2714
Brugia malayi PHD-finger family protein 0.0023 0.0064 0.0116
Loa Loa (eye worm) heterochromatin protein 1 0.0059 0.0343 0.1129
Echinococcus granulosus Polycystic kidney disease protein 0.0018 0.0028 0.0028
Schistosoma mansoni polycystin 1-related 0.0018 0.0028 0.0028
Leishmania major hypothetical protein, conserved 0.0036 0.0171 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0033 0.0141 0.0141
Brugia malayi Bromodomain containing protein 0.0068 0.0412 0.1237
Schistosoma mansoni hypothetical protein 0.0018 0.0028 0.0028
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0021 0.0053 0.178
Loa Loa (eye worm) bromodomain containing protein 0.0016 0.0014 0.0045
Echinococcus multilocularis jun protein 0.0422 0.3129 0.3129
Schistosoma mansoni rab6-interacting 0.0018 0.0028 0.0028
Echinococcus granulosus zinc finger protein 0.0018 0.0027 0.0027
Loa Loa (eye worm) hepatopoietin HPO2 0.0036 0.0171 0.0563
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.0171 1
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0036 0.0171 0.0171
Brugia malayi Augmenter of liver regeneration 0.0036 0.0171 0.0461
Echinococcus granulosus lipoxygenase domain containing protein 0.0018 0.0028 0.0028
Echinococcus multilocularis chromobox protein 1 0.0059 0.0343 0.0343
Schistosoma mansoni hypothetical protein 0.0143 0.0991 0.0991
Trichomonas vaginalis chromobox protein, putative 0.0059 0.0343 1
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0171 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0087 0.0561 0.1718
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.0171 1
Echinococcus granulosus chromobox protein 1 0.0059 0.0343 0.0343
Echinococcus granulosus histone lysine methyltransferase setb 0.0015 0.001 0.001
Schistosoma mansoni lipoxygenase 0.0107 0.071 0.071
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0107 0.071 0.071
Echinococcus granulosus chromobox protein 1 0.0059 0.0343 0.0343
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0171 1
Schistosoma mansoni microtubule-associated protein tau 0.1318 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0036 0.0164 0.0565

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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