Detailed information for compound 572943

Basic information

Technical information
  • TDR Targets ID: 572943
  • Name: (2,5-dioxopyrrolidin-1-yl) 3-[4-hydroxy-3,5-b is(iodanyl)phenyl]propanoate
  • MW: 511.039 | Formula: C13H11I2NO5
  • H donors: 1 H acceptors: 4 LogP: 2.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(ON1C(=O)CCC1=O)CCc1cc([125I])c(c(c1)[125I])O
  • InChi: 1S/C13H11I2NO5/c14-8-5-7(6-9(15)13(8)20)1-4-12(19)21-16-10(17)2-3-11(16)18/h5-6,20H,1-4H2/i14-2,15-2
  • InChiKey: OTOULVUAHYHGAG-IVRZNZSTSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
  • 3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propionic acid succinimido ester
  • N-hydroxysuccinimidyl 3-(4'-hydroxy-(3',5'-125I)- diiodophenyl)propionate
  • 60285-92-9
  • [125I]-Bolton-Hunter Reagent (diiodinated)
  • 2,5-Pyrrolidinedione, 1-(3-(4-hydroxy-3,5-di(iodo-125I)phenyl)- 1-oxopropoxy)-
  • 2,5-Pyrrolidinedione, 1-[3-[4-hydroxy-3,5-di(iodo-125I)phenyl]-1-oxopropoxy]- (9CI)
  • 2,5-Pyrrolidinedione, 1-(3-(4-hydroxy-3,5-di(iodo-125I)phenyl)-1-oxopropoxy)-
  • N-Hydroxysuccinimidyl 3-(4'-hydroxy-(3',5'-125I)-diiodophenyl)propionate

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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0196 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.026 0.026
Echinococcus granulosus lamin 0.0026 0.0564 0.0534
Schistosoma mansoni hypothetical protein 0.0122 0.502 0.6953
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0109 0.0078
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0109 0.0078
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.026 0.0229
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.026 0.0229
Echinococcus multilocularis lamin 0.0026 0.0564 0.0534
Loa Loa (eye worm) steroid hormone receptor 0.002 0.026 0.026
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0564 0.0564
Schistosoma mansoni hypothetical protein 0.0169 0.7206 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Loa Loa (eye worm) cytochrome P450 0.0015 0.0031 0.0031
Schistosoma mansoni thyroid hormone receptor 0.0141 0.593 0.8222
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0031 0.0031
Brugia malayi Cytochrome P450 family protein 0.0015 0.0031 0.0031
Schistosoma mansoni lamin 0.0026 0.0564 0.0742
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.141 0.1382
Onchocerca volvulus 0.0047 0.1522 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0196 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.026 0.0318
Echinococcus multilocularis musashi 0.0026 0.0564 0.0534
Echinococcus granulosus GPCR family 2 0.0016 0.0109 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0109 0.0109
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.187 0.187
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0196 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0564 0.0742
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0564 0.0564
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.026 0.026
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0196 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.026 0.026
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.026 0.026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.141 0.1382
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0196 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.026 0.0229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.026 0.026
Brugia malayi Cytochrome P450 family protein 0.0015 0.0031 0.0031
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.026 0.026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.141 0.1921
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.026 0.0229
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.026 0.026
Echinococcus multilocularis FTZ F1 alpha 0.002 0.026 0.0229
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.026 0.0318
Schistosoma mansoni hypothetical protein 0.0016 0.0109 0.0109
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.026 0.0318
Loa Loa (eye worm) hypothetical protein 0.0026 0.0564 0.0564
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0196 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.026 0.0318
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0196 1
Echinococcus granulosus lamin dm0 0.0026 0.0564 0.0534
Echinococcus multilocularis lamin dm0 0.0026 0.0564 0.0534
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0169 0.7206 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0109 0.0109
Brugia malayi Cytochrome P450 family protein 0.0015 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.026 0.026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.141 0.1382
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0196 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.141 0.1921
Onchocerca volvulus 0.0026 0.0564 0.2411
Brugia malayi Steroid receptor seven-up type 2 0.002 0.026 0.026
Echinococcus granulosus intermediate filament protein 0.0026 0.0564 0.0534
Schistosoma mansoni ap endonuclease 0.0018 0.0196 0.023
Echinococcus multilocularis geminin 0.0169 0.7206 0.7197
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.141 0.141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.026 0.026
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.026 0.0318
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1751 0.1751
Brugia malayi nuclear hormone receptor 0.002 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0016 0.0109 0.0109
Echinococcus granulosus FTZ F1 alpha 0.002 0.026 0.0229
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.026 0.0229
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0196 0.0165
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1751 0.1751
Loa Loa (eye worm) hypothetical protein 0.0035 0.0991 0.0991
Schistosoma mansoni hypothetical protein 0.0016 0.0109 0.0109
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0991 0.0991
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.026 0.026
Schistosoma mansoni coup transcription factor 0.002 0.026 0.0318
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0026 0.0542 0.0542
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0196 0.0165
Mycobacterium leprae Conserved hypothetical protein 0.0015 0.0031 0.5
Schistosoma mansoni thyroid hormone receptor 0.0141 0.593 0.8222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.026 0.026
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1751 0.1751
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.026 0.0229
Loa Loa (eye worm) hypothetical protein 0.0052 0.1751 0.1751
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0031 0.0031
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0109 0.0109
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.002 0.026 0.026
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.026 0.0318
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.026 0.0229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.026 0.026
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0035 0.0991 0.1338
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.026 0.0229
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0196 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.026 0.026
Brugia malayi ecdysteroid receptor 0.002 0.026 0.026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.141 0.1382
Mycobacterium leprae putative cytochrome p450 0.0015 0.0031 0.5
Echinococcus granulosus geminin 0.0169 0.7206 0.7197
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.026 0.0229
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.502 0.5004
Onchocerca volvulus 0.0026 0.0564 0.2411
Brugia malayi steroid hormone receptor 0.002 0.026 0.026
Brugia malayi intermediate filament protein 0.0026 0.0564 0.0564
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0196 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.026 0.0229
Brugia malayi Cytochrome P450 family protein 0.0054 0.187 0.187
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.593 0.5917
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.026 0.026
Schistosoma mansoni lamin 0.0026 0.0564 0.0742
Brugia malayi cytochrome P450 0.0015 0.0031 0.0031
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.026 0.0229
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.026 0.026
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0196 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.026 0.0229
Schistosoma mansoni hypothetical protein 0.0016 0.0109 0.0109
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0196 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1522 0.1522
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.026 0.0318
Toxoplasma gondii exonuclease III APE 0.0018 0.0196 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.026 0.026
Echinococcus granulosus survival motor neuron protein 1 0.0228 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0196 0.5
Schistosoma mansoni ap endonuclease 0.0018 0.0196 0.023
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.026 0.026
Echinococcus multilocularis survival motor neuron protein 1 0.0228 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0196 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.026 0.0229
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.026 0.0229
Schistosoma mansoni nuclear hormone receptor 0.002 0.026 0.0318
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.026 0.0318
Schistosoma mansoni hypothetical protein 0.0047 0.1522 0.2077
Echinococcus multilocularis GPCR, family 2 0.0016 0.0109 0.0078
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.026 0.026
Brugia malayi nuclear receptor NHR-88 0.002 0.026 0.026
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0109 0.0078
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0196 0.5
Schistosoma mansoni survival motor neuron protein 0.0047 0.1522 0.2077
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.026 0.026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.026 0.0229
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0109 0.0109
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.502 0.5004
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.026 0.0318
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0109 0.0078
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0564 0.0564
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.141 0.141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.141 0.1921

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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