Detailed information for compound 1004469

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.479 | Formula: C23H30O9
  • H donors: 3 H acceptors: 6 LogP: 2.02 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(OC(C(=O)O[C@@H]1[C@@H](O)[C@H](O)C=C(C1=O)CO)CC(C)C)Cc1ccccc1
  • InChi: 1S/C23H30O9/c1-13(2)9-17(31-18(22(28)30-3)10-14-7-5-4-6-8-14)23(29)32-21-19(26)15(12-24)11-16(25)20(21)27/h4-8,11,13,16-18,20-21,24-25,27H,9-10,12H2,1-3H3/t16-,17?,18?,20+,21+/m1/s1
  • InChiKey: WKPWSSVSBBBVAQ-VWHSNLPJSA-N  

Network

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Synonyms

No synonyms found for this compound

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 granulosus ATP dependent DNA helicase Q5 0.0019 0.3222 0.3137
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Trichomonas vaginalis DNA polymerase eta, putative 0.004 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.3222 0.3138
Entamoeba histolytica deoxycytidyl transferase, putative 0.0014 0.1517 0.4709
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.29 0.6567
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0014 0.1517 0.2084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0124 0.0002
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.3222 0.0455
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.3222 1
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.6816 0.6789
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0014 0.1517 0.1411
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0014 0.1517 0.4709
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.2189 0.2122
Schistosoma mansoni coup transcription factor 0.001 0.0124 0.0385
Loa Loa (eye worm) hypothetical protein 0.0019 0.3222 0.4631
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.3222 0.3137
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.3222 1
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.1517 0.2082
Brugia malayi polk-prov protein 0.003 0.6816 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0014 0.1517 0.1445
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.29 0.4149
Schistosoma mansoni DNA helicase recq5 0.0019 0.3222 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.29 0.2811
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0124 0.0385
Loa Loa (eye worm) hypothetical protein 0.0014 0.1517 0.2084
Schistosoma mansoni thyroid hormone receptor 0.001 0.0124 0.0385
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0123 0.0381
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0124 0.0385
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.3222 0.0455
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Schistosoma mansoni DNA helicase recq1 0.0019 0.3222 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.29 0.281
Mycobacterium ulcerans DNA polymerase IV 0.004 1 1
Giardia lamblia DINP protein human, muc B family 0.002 0.3622 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.29 0.2839
Trypanosoma brucei DNA polymerase IV, putative 0.004 1 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.3222 0.8102
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.29 1
Loa Loa (eye worm) RecQ helicase 0.0019 0.3222 0.4631
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.7895 0.7878
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.29 0.4148
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0011 0.0438 0.1359
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.29 0.2811
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0124 0.0002
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.3222 0.3137
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.29 1
Loa Loa (eye worm) hypothetical protein 0.003 0.6816 1
Onchocerca volvulus 0.001 0.0124 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0124 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.2189 0.2122
Trypanosoma brucei DNA polymerase IV, putative 0.004 1 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0124 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.2189 0.2122
Loa Loa (eye worm) hypothetical protein 0.001 0.0123 0.0000000038949
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.3222 0.4631
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0123 0.0423
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.3222 0.463
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.29 0.6567
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.6816 0.6789
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0124 0.0002
Schistosoma mansoni thyroid hormone receptor 0.001 0.0124 0.0385
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.3222 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0124 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.3222 0.3137
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0124 0.0002
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.1517 0.2082
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.29 0.281
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0124 0.0385
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.3222 0.0455
Schistosoma mansoni DNA polymerase eta 0.0014 0.1517 0.4709
Echinococcus granulosus dna polymerase eta 0.0014 0.1517 0.1411
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3622 0.3568
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.29 0.5
Mycobacterium ulcerans DNA polymerase IV 0.004 1 1
Schistosoma mansoni ap endonuclease 0.0018 0.29 0.8998
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0124 0.0385
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0014 0.1517 0.4709
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0124 0.0385
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Toxoplasma gondii exonuclease III APE 0.0018 0.29 0.8998
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0019 0.3222 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.3222 0.447
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0124 0.5
Echinococcus granulosus bloom syndrome protein 0.0019 0.3222 0.3137
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.3222 0.463
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.3622 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0124 0.0385
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0124 0.0002
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0124 0.5
Entamoeba histolytica recQ family helicase, putative 0.0019 0.3222 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.3222 0.3165
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0124 0.0385
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0124 0.0385
Echinococcus multilocularis dna polymerase eta 0.0014 0.1517 0.1411
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0002
Entamoeba histolytica recQ family DNA helicase 0.001 0.0123 0.0381
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.3222 0.463
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0123 0.0381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0124 0.0002
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.3622 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0014 0.1517 0.1411
Trypanosoma cruzi DNA polymerase eta, putative 0.0014 0.1517 0.1412
Echinococcus multilocularis bloom syndrome protein 0.0019 0.3222 0.3137
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0124 0.0385
Leishmania major DNA polymerase kappa, putative 0.002 0.3622 1
Schistosoma mansoni ap endonuclease 0.0018 0.29 0.8998
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 1 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0124 0.0385
Echinococcus multilocularis dna polymerase kappa 0.004 1 1
Trypanosoma brucei unspecified product 0.0033 0.7895 0.7878
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.29 0.8998

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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