Detailed information for compound 806646

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.549 | Formula: C28H31NO5
  • H donors: 0 H acceptors: 1 LogP: 4.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc2c1OCCN(C2)C(=O)CCc1ccc(cc1)C)c1ccc(c(c1)OC)OC
  • InChi: 1S/C28H31NO5/c1-19-5-7-20(8-6-19)9-12-27(30)29-13-14-34-28-23(18-29)15-22(17-26(28)33-4)21-10-11-24(31-2)25(16-21)32-3/h5-8,10-11,15-17H,9,12-14,18H2,1-4H3
  • InChiKey: JZGGYQNVZNPAQR-UHFFFAOYSA-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
Loa Loa (eye worm) animal heme peroxidase 0.0168 0.0239 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.0511 0.4304 0.5755
Trichomonas vaginalis alpha-glucosidase, putative 0.0162 0.0169 0.0226
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0162 0.0169 1
Schistosoma mansoni alpha-glucosidase 0.088 0.8678 0.8655
Trichomonas vaginalis glucosylceramidase, putative 0.0779 0.7479 1
Echinococcus multilocularis bile acid beta glucosidase 0.0628 0.5688 0.5688
Trichomonas vaginalis glucosylceramidase, putative 0.0511 0.4304 0.5755
Schistosoma mansoni peroxidasin 0.0168 0.0239 0.0071
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.0169 0.0169
Trypanosoma cruzi hypothetical protein, conserved 0.0162 0.0169 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0168 0.0239 0.0239
Trypanosoma cruzi hypothetical protein, conserved 0.0162 0.0169 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.0538 0.4631 0.6192
Trichomonas vaginalis maltase-glucoamylase, putative 0.0162 0.0169 0.0226
Giardia lamblia Ceramide glucosyltransferase 0.0449 0.3575 1
Brugia malayi Animal haem peroxidase family protein 0.0168 0.0239 0.0239
Loa Loa (eye worm) blistered cuticle protein 3 0.0168 0.0239 0.0239
Trichomonas vaginalis alpha-glucosidase, putative 0.0162 0.0169 0.0226
Echinococcus multilocularis peroxidasin 0.0168 0.0239 0.0239
Echinococcus multilocularis neutral alpha glucosidase AB 0.0162 0.0169 0.0169
Schistosoma mansoni bile acid beta-glucosidase-related 0.0628 0.5688 0.5613
Schistosoma mansoni bile acid beta-glucosidase-related 0.0628 0.5688 0.5613
Trichomonas vaginalis glucosylceramidase, putative 0.0779 0.7479 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Onchocerca volvulus Glucosylceramidase homolog 0.0511 0.4304 0.4165
Schistosoma mansoni ceramide glucosyltransferase 0.0991 1 1
Brugia malayi Blistered cuticle protein 3 0.0168 0.0239 0.0239
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0628 0.5688 0.5688
Echinococcus multilocularis lysosomal alpha glucosidase 0.0957 0.9598 0.9598
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0779 0.7479 0.7479
Brugia malayi Animal haem peroxidase family protein 0.0168 0.0239 0.0239
Echinococcus granulosus peroxidasin 0.0168 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Loa Loa (eye worm) animal heme peroxidase 0.0168 0.0239 0.0239
Schistosoma mansoni hypothetical protein 0.019 0.0501 0.0337
Schistosoma mansoni alpha-glucosidase 0.088 0.8678 0.8655
Brugia malayi Animal haem peroxidase family protein 0.0168 0.0239 0.0239
Trichomonas vaginalis alpha-glucosidase, putative 0.0162 0.0169 0.0226
Loa Loa (eye worm) ceramide glucosyltransferase 0.0991 1 1
Brugia malayi Animal haem peroxidase family protein 0.0168 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.0511 0.4304 0.5755
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0162 0.0169 0.0226
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.0779 0.7479 1
Echinococcus granulosus non lysosomal glucosylceramidase 0.0628 0.5688 0.5688
Echinococcus granulosus lysosomal alpha glucosidase 0.0957 0.9598 0.9598
Trichomonas vaginalis glucosylceramidase, putative 0.0779 0.7479 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0162 0.0169 0.0226
Leishmania major alpha glucosidase II subunit, putative 0.0162 0.0169 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0957 0.9598 0.9598
Onchocerca volvulus 0.0591 0.5256 0.514
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Trypanosoma brucei glucosidase, putative 0.0162 0.0169 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0162 0.0169 0.0169
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0162 0.0169 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0779 0.7479 0.7479
Loa Loa (eye worm) hypothetical protein 0.0424 0.327 0.327
Echinococcus multilocularis ceramide glucosyltransferase 0.0991 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0162 0.0169 1
Trichomonas vaginalis glucosylceramidase, putative 0.0511 0.4304 0.5755
Echinococcus granulosus bile acid beta glucosidase 0.0628 0.5688 0.5688
Trichomonas vaginalis alpha-glucosidase, putative 0.0162 0.0169 0.0226
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Brugia malayi Animal haem peroxidase family protein 0.0168 0.0239 0.0239
Loa Loa (eye worm) animal heme peroxidase 0.0168 0.0239 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.0511 0.4304 0.5755
Trichomonas vaginalis sucrase-isomaltase, putative 0.0162 0.0169 0.0226
Schistosoma mansoni peroxidasin 0.0168 0.0239 0.0071
Trichomonas vaginalis glucosylceramidase, putative 0.0511 0.4304 0.5755
Echinococcus granulosus ceramide glucosyltransferase 0.0991 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.0511 0.4304 0.5755
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.0169 0.0169
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0162 0.0169 0.0226
Trichomonas vaginalis glucosylceramidase, putative 0.0779 0.7479 1
Trichomonas vaginalis glucosylceramidase, putative 0.0538 0.4631 0.6192
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.0779 0.7479 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0957 0.9598 0.9598
Brugia malayi hypothetical protein 0.0168 0.0239 0.0239
Brugia malayi Glycosyl hydrolases family 31 protein 0.0957 0.9598 0.9598
Loa Loa (eye worm) hypothetical protein 0.0168 0.0239 0.0239
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0991 1 1
Schistosoma mansoni ceramide glucosyltransferase 0.0991 1 1
Brugia malayi Peroxidasin 0.0168 0.0239 0.0239

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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