Detailed information for compound 806644

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.458 | Formula: C24H24N2O5
  • H donors: 0 H acceptors: 2 LogP: 3.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc2c1OCCN(C2)C(=O)c1ccccn1)c1c(OC)cccc1OC
  • InChi: 1S/C24H24N2O5/c1-28-19-8-6-9-20(29-2)22(19)16-13-17-15-26(24(27)18-7-4-5-10-25-18)11-12-31-23(17)21(14-16)30-3/h4-10,13-14H,11-12,15H2,1-3H3
  • InChiKey: FUXCJZAPFIPDSQ-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) ceramide glucosyltransferase 0.1751 1 1
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.1751 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1623 0.9188 1
Schistosoma mansoni ceramide glucosyltransferase 0.1751 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1623 0.9188 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0274 0.0625 0.0465
Brugia malayi Glycosyl hydrolases family 31 protein 0.1446 0.8068 0.8035
Trichomonas vaginalis glucosylceramidase, putative 0.1623 0.9188 1
Trypanosoma cruzi hypothetical protein, conserved 0.0274 0.0625 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.1122 0.6008 0.6287
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1446 0.8068 0.8035
Echinococcus multilocularis ceramide glucosyltransferase 0.1751 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1065 0.5644 0.5862
Brugia malayi Glycosyl hydrolases family 31 protein 0.0274 0.0625 0.0465
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0274 0.0625 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.1065 0.5644 0.5862
Echinococcus multilocularis lysosomal alpha glucosidase 0.1446 0.8068 0.8035
Schistosoma mansoni alpha glucosidase 0.0274 0.0625 0.0625
Echinococcus granulosus non lysosomal glucosylceramidase 0.1308 0.7188 0.714
Trichomonas vaginalis glucosylceramidase, putative 0.1623 0.9188 1
Trichomonas vaginalis glucosylceramidase, putative 0.1065 0.5644 0.5862
Schistosoma mansoni ceramide glucosyltransferase 0.1751 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 0.4489 0.4395
Echinococcus multilocularis bile acid beta glucosidase 0.1308 0.7188 0.714
Schistosoma mansoni alpha-glucosidase 0.1296 0.7116 0.7116
Echinococcus granulosus bile acid beta glucosidase 0.1308 0.7188 0.714
Trypanosoma cruzi hypothetical protein, conserved 0.0274 0.0625 0.5
Trypanosoma brucei glucosidase, putative 0.0274 0.0625 0.5
Echinococcus granulosus ceramide glucosyltransferase 0.1751 1 1
Onchocerca volvulus 0.0871 0.4415 0.432
Trichomonas vaginalis glucosylceramidase, putative 0.1065 0.5644 0.5862
Schistosoma mansoni peroxidasin 0.0202 0.0168 0.0168
Schistosoma mansoni bile acid beta-glucosidase-related 0.1308 0.7188 0.7188
Giardia lamblia Ceramide glucosyltransferase 0.0794 0.3923 0.5
Echinococcus multilocularis non lysosomal glucosylceramidase 0.1308 0.7188 0.714
Leishmania major alpha glucosidase II subunit, putative 0.0274 0.0625 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.1065 0.5644 0.5862
Trichomonas vaginalis glucosylceramidase, putative 0.1623 0.9188 1
Trichomonas vaginalis glucosylceramidase, putative 0.1122 0.6008 0.6287
Echinococcus multilocularis neutral alpha glucosidase AB 0.0274 0.0625 0.0465
Echinococcus granulosus lysosomal alpha glucosidase 0.1446 0.8068 0.8035
Schistosoma mansoni bile acid beta-glucosidase-related 0.1308 0.7188 0.7188
Trichomonas vaginalis glucosylceramidase, putative 0.1623 0.9188 1
Onchocerca volvulus Glucosylceramidase homolog 0.1065 0.5644 0.557
Echinococcus multilocularis lysosomal alpha glucosidase 0.1446 0.8068 0.8035
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0274 0.0625 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0274 0.0625 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1623 0.9188 0.9174
Schistosoma mansoni alpha-glucosidase 0.1296 0.7116 0.7116
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1623 0.9188 0.9174
Trichomonas vaginalis glucosylceramidase, putative 0.1065 0.5644 0.5862
Schistosoma mansoni peroxidasin 0.0202 0.0168 0.0168
Trichomonas vaginalis glucosylceramidase, putative 0.1065 0.5644 0.5862
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0274 0.0625 0.0465

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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