Detailed information for compound 1698110

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 582.425 | Formula: C26H31IO7
  • H donors: 1 H acceptors: 2 LogP: 4.69 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CCO[C@H]1[C@H](O)[C@H](COCc2ccccc2)O[C@H]([C@H]1OC(=O)C(C)C)Oc1ccc(cc1)I
  • InChi: 1S/C26H31IO7/c1-4-14-31-23-22(28)21(16-30-15-18-8-6-5-7-9-18)33-26(24(23)34-25(29)17(2)3)32-20-12-10-19(27)11-13-20/h4-13,17,21-24,26,28H,1,14-16H2,2-3H3/t21-,22+,23-,24-,26+/m0/s1
  • InChiKey: KQIYWJNBTRKTGE-AOYLRGCGSA-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
Brugia malayi serine/threonine kinase 12 0.0127 0.0339 0.0587
Echinococcus granulosus lysosomal alpha glucosidase 0.0153 0.0552 0.0552
Echinococcus multilocularis lysosomal alpha glucosidase 0.0153 0.0552 0.0552
Brugia malayi serine/threonine protein kinase 6 0.0127 0.0339 0.0587
Schistosoma mansoni alpha-glucosidase 0.0153 0.0552 0.0803
Echinococcus multilocularis aurora kinase A 0.0127 0.0339 0.0339
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0127 0.0339 0.0339
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0097 0.0097 0.0097
Trypanosoma brucei aurora B kinase 0.0127 0.0339 0.5
Entamoeba histolytica protein kinase, putative 0.0127 0.0339 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0097 0.0097 0.0097
Toxoplasma gondii aurora kinase 0.0127 0.0339 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0153 0.0552 0.0957
Loa Loa (eye worm) alpha-L-fucosidase 0.0792 0.5771 1
Schistosoma mansoni alpha-glucosidase 0.0153 0.0552 0.0803
Trichomonas vaginalis beta-hexosaminidase, putative 0.0192 0.0868 0.2937
Plasmodium falciparum serine/threonine protein kinase, putative 0.0127 0.0339 0.5
Trichomonas vaginalis beta-hexosaminidase, putative 0.0192 0.0868 0.2937
Entamoeba histolytica protein kinase , putative 0.0127 0.0339 0.5
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0127 0.0339 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0097 0.0097 0.0097
Loa Loa (eye worm) AUR protein kinase 0.0127 0.0339 0.0587
Loa Loa (eye worm) AUR protein kinase 0.0127 0.0339 0.0587
Brugia malayi Alpha-L-fucosidase family protein 0.0792 0.5771 1
Onchocerca volvulus 0.0153 0.0552 0.5
Giardia lamblia Aurora kinase 0.0127 0.0339 1
Entamoeba histolytica protein kinase domain containing protein 0.0127 0.0339 0.5
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.131 1 1
Entamoeba histolytica protein kinase, putative 0.0127 0.0339 0.5
Loa Loa (eye worm) AUR protein kinase 0.0127 0.0339 0.0587
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0348 0.214 1
Echinococcus granulosus aurora kinase A 0.0127 0.0339 0.0339
Schistosoma mansoni serine/threonine protein kinase 0.0127 0.0339 0.0427
Mycobacterium ulcerans alpha-L-fucosidase 0.131 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0153 0.0552 0.0957
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQI 0.0192 0.0868 0.5
Schistosoma mansoni alpha-l-fucosidase 0.0792 0.5771 1
Trypanosoma cruzi aurora B kinase, putative 0.0127 0.0339 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0127 0.0339 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0348 0.214 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0097 0.0167
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0127 0.0339 0.0339
Leishmania major protein kinase, putative 0.0127 0.0339 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0192 0.0868 0.2937
Brugia malayi serine/threonine-protein kinase 6 0.0127 0.0339 0.0587
Mycobacterium tuberculosis Probable conserved lipoprotein LpqI 0.0192 0.0868 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0153 0.0552 0.0552
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0127 0.0339 0.5
Schistosoma mansoni protein kinase 0.0127 0.0339 0.0427
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0097 0.0097 0.0097
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0127 0.0339 0.5

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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