Detailed information for compound 1806854

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 576.589 | Formula: C29H36O12
  • H donors: 2 H acceptors: 7 LogP: 0.46 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)C)[C@]3([C@@]([C@@H]1OC(=O)c1ccccc1)(O)[C@@H](OC(=O)C)[C@H](C[C@]3(C)O)C(=O)C)OC2(C)C
  • InChi: 1S/C29H36O12/c1-14(30)19-13-27(7,35)29-23(39-17(4)33)20(26(5,6)41-29)21(37-15(2)31)24(28(29,36)22(19)38-16(3)32)40-25(34)18-11-9-8-10-12-18/h8-12,19-24,35-36H,13H2,1-7H3/t19-,20-,21-,22+,23-,24-,27+,28-,29+/m1/s1
  • InChiKey: PRRRTCUMSXWRBE-WNPNBALPSA-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
Loa Loa (eye worm) hypothetical protein 0.0021 0.0632 0.0724
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3288 0.299
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.2504 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0425 0.1697
Schistosoma mansoni hypothetical protein 0.0165 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.2504 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.2504 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0852 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Loa Loa (eye worm) RNA binding protein 0.0062 0.3288 0.3766
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.2504 0.2172
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.2504 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0427 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0852 0.2055
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0425 0.1697
Echinococcus multilocularis muscleblind protein 0.0146 0.873 0.8674
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.2504 0.2869
Echinococcus granulosus tar DNA binding protein 0.0062 0.3288 0.299
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0852 0.0446
Loa Loa (eye worm) hypothetical protein 0.0146 0.873 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.2504 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.2504 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.2504 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0852 0.0446
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0427 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0425 0.1697
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Echinococcus multilocularis muscleblind protein 1 0.0146 0.873 0.8674
Echinococcus multilocularis geminin 0.0165 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.2504 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Brugia malayi RNA binding protein 0.0062 0.3288 0.3447
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3288 0.299
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3288 0.3447
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.2504 1
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0852 0.3404
Trichomonas vaginalis CMGC family protein kinase 0.005 0.2504 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0852 0.0515
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis CMGC family protein kinase 0.005 0.2504 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0425 0.1697
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.2504 0.2172
Echinococcus granulosus muscleblind protein 0.0146 0.873 0.8674
Trypanosoma brucei protein kinase, putative 0.005 0.2504 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3288 0.3766
Brugia malayi MAP kinase sur-1 0.005 0.2504 0.2504
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.2504 0.2172
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3288 0.299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Schistosoma mansoni serine/threonine protein kinase 0.005 0.2504 0.2172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3288 0.3766
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3288 0.299
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0852 0.3404
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0425 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0852 0.3404
Brugia malayi Muscleblind-like protein 0.0146 0.873 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Entamoeba histolytica hypothetical protein 0.0024 0.0852 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0632 0.0997
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3288 0.299
Schistosoma mansoni hypothetical protein 0.0165 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3288 0.299
Loa Loa (eye worm) hypothetical protein 0.0146 0.873 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0425 0.1697
Trichomonas vaginalis CMGC family protein kinase 0.005 0.2504 1
Brugia malayi TAR-binding protein 0.0062 0.3288 0.3447
Echinococcus granulosus mitogen activated protein kinase 0.005 0.2504 0.2172
Giardia lamblia Kinase, CMGC MAPK 0.005 0.2504 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0425 0.0487

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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