Detailed information for compound 917103

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.64 | Formula: C29H42O7
  • H donors: 1 H acceptors: 3 LogP: 4.96 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCOC(=O)CC[C@]1(C)[C@@H](CC[C@]2([C@@H]1Cc1c(O2)c(C)c2c(c1OC)C(=O)OC2)C)C(O)(C)C
  • InChi: 1S/C29H42O7/c1-8-9-14-34-22(30)11-12-28(5)20(27(3,4)32)10-13-29(6)21(28)15-18-24(36-29)17(2)19-16-35-26(31)23(19)25(18)33-7/h20-21,32H,8-16H2,1-7H3/t20-,21+,28+,29-/m0/s1
  • InChiKey: VZKSJYFCTRVSHA-KMQZGOFYSA-N  


Substructure search Similarity search

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
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.006 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.0608 0.3601
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.1689 0.5445
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0075 0.1005 0.3239
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0116 0.1689 1
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.006 0.0762 0.2461
Toxoplasma gondii exonuclease III APE 0.0019 0.006 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0039 0.0397 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.006 0.0762 0.4513
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.006 0.0193
Schistosoma mansoni ap endonuclease 0.0019 0.006 0.0193
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0039 0.0397 0.2348
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0075 0.1005 0.1005
Entamoeba histolytica hypothetical protein 0.0092 0.1292 0.7652
Loa Loa (eye worm) phosphatidylinositol 3 0.0092 0.1292 0.4173
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0039 0.0397 0.2348
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.006 0.006
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0039 0.0397 0.2348
Brugia malayi Neuronal symmetry protein 1 0.02 0.3102 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0027 0.0201 0.2262
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0079 0.1081 0.6399
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0116 0.1689 0.1689
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0112 0.1632 0.966
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0035 0.0339 0.2008
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.006 0.0355
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.006 0.0355
Schistosoma mansoni ap endonuclease 0.0019 0.006 0.0193
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0039 0.0397 0.1279
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.006 0.0193
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0116 0.1689 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.006 0.0355
Loa Loa (eye worm) hypothetical protein 0.02 0.3097 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.006 0.0194
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.006 0.0355
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0056 0.0684 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.006 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.006 0.5
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0116 0.1689 1
Loa Loa (eye worm) STAT protein 0.0154 0.2329 0.7521
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.1005 0.3239
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0116 0.1689 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0116 0.1689 0.5445
Loa Loa (eye worm) hypothetical protein 0.0075 0.1005 0.3245
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.006 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0092 0.1292 0.7652
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0039 0.0397 0.2348
Loa Loa (eye worm) hypothetical protein 0.0041 0.0431 0.1392
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0079 0.1081 0.6399
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.02 0.3102 0.3102
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0397 0.1279
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.006 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0757 0.2445
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.006 0.0355
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0039 0.0397 0.2348
Loa Loa (eye worm) phosphatidylinositol 3 0.0035 0.0339 0.1095
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.02 0.3102 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0039 0.0397 0.2348
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0116 0.1689 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.006 0.0762 0.4513
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0116 0.1689 0.5445
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0116 0.1689 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.006 0.1512
Schistosoma mansoni protein kinase 0.02 0.3102 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0154 0.2329 0.7509
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.006 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.006 0.5
Schistosoma mansoni protein kinase 0.02 0.3102 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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