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

Hover on a compound node to display the structore

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.