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

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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