Detailed information for compound 1526981

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 612.879 | Formula: C38H60O6
  • H donors: 0 H acceptors: 3 LogP: 9.44 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C(=O)OC(C)(C)C)C)C)OC(=O)C
  • InChi: 1S/C38H60O6/c1-23(2)26-14-19-38(32(41)44-33(5,6)7)21-20-36(10)27(31(26)38)12-13-29-34(8)17-16-30(43-25(4)40)35(9,22-42-24(3)39)28(34)15-18-37(29,36)11/h26-31H,1,12-22H2,2-11H3/t26-,27+,28+,29+,30-,31+,34-,35-,36+,37+,38-/m0/s1
  • InChiKey: ZCLUWOYLAUQKOM-FAITVOEPSA-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
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.1317 0.2178
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0168 0.2555 0.2555
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0063 0.0515 0.0515
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0198 0.3143 1
Schistosoma mansoni hypothetical protein 0.0136 0.1921 0.1921
Brugia malayi cation channel family protein 0.0235 0.3861 0.3861
Leishmania major hypothetical protein, conserved 0.0135 0.1905 1
Onchocerca volvulus 0.0097 0.1162 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0347 0.6049 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0144 0.2082 0.2082
Loa Loa (eye worm) hypothetical protein 0.01 0.1233 0.2038
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0 0.5
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0198 0.3143 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0167 0.2536 0.2536
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Loa Loa (eye worm) ryanodine receptor 0.0205 0.3282 0.5426
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.2536 0.3186
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0144 0.2082 0.2082
Schistosoma mansoni ryanodine receptor related 0.055 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0167 0.2536 0.3186
Loa Loa (eye worm) ryanodine receptor 0.013 0.1808 0.2988
Echinococcus multilocularis ryanodine receptor 44f 0.0445 0.7959 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0583 0.0964
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Echinococcus granulosus ryanodine receptor 44f 0.0445 0.7959 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0167 0.2536 0.4192
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0067 0.0583 0.0583
Echinococcus multilocularis ryanodine receptor 44f 0.0347 0.6049 0.76
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.2536 0.3186
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0 0.5
Echinococcus granulosus ryanodine receptor 44f 0.0347 0.6049 0.76

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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