Detailed information for compound 806645

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.585 | Formula: C27H35N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)c1cn(cc(c1=O)C(=O)N1CCC(CC1)c1ccccc1)C1CCCC1)C
  • InChi: 1S/C27H35N3O3/c1-3-19(2)28-26(32)23-17-30(22-11-7-8-12-22)18-24(25(23)31)27(33)29-15-13-21(14-16-29)20-9-5-4-6-10-20/h4-6,9-10,17-19,21-22H,3,7-8,11-16H2,1-2H3,(H,28,32)
  • InChiKey: YTXVOJLFSYUEFV-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
Trichomonas vaginalis glucosylceramidase, putative 0.105 0.8331 1
Schistosoma mansoni alpha-glucosidase 0.101 0.7965 0.7886
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0198 0.0512 0.0614
Onchocerca volvulus 0.0679 0.4924 0.4631
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Echinococcus granulosus bile acid beta glucosidase 0.0846 0.6461 0.6461
Echinococcus granulosus non lysosomal glucosylceramidase 0.0846 0.6461 0.6461
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Brugia malayi Animal haem peroxidase family protein 0.0202 0.0545 0.0545
Trichomonas vaginalis alpha-glucosidase, putative 0.0198 0.0512 0.0614
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Echinococcus multilocularis neutral alpha glucosidase AB 0.0198 0.0512 0.0512
Brugia malayi Blistered cuticle protein 3 0.0202 0.0545 0.0545
Trichomonas vaginalis glucosylceramidase, putative 0.105 0.8331 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.1232 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0198 0.0512 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.105 0.8331 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0202 0.0545 0.0545
Brugia malayi Peroxidasin 0.0202 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Brugia malayi Animal haem peroxidase family protein 0.0202 0.0545 0.0545
Brugia malayi Glycosyl hydrolases family 31 protein 0.0198 0.0512 0.0512
Trichomonas vaginalis glucosylceramidase, putative 0.0689 0.5017 0.6022
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0198 0.0512 0.0512
Trichomonas vaginalis glucosylceramidase, putative 0.0689 0.5017 0.6022
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Trichomonas vaginalis glucosylceramidase, putative 0.0726 0.5357 0.6431
Trichomonas vaginalis alpha-glucosidase, putative 0.0198 0.0512 0.0614
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0198 0.0512 1
Schistosoma mansoni peroxidasin 0.0202 0.0545 0.0179
Echinococcus granulosus neutral alpha glucosidase AB 0.0198 0.0512 0.0512
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.0545 0.0545
Echinococcus granulosus peroxidasin 0.0202 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.0545 0.0545
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.105 0.8331 0.8331
Trypanosoma cruzi hypothetical protein, conserved 0.0198 0.0512 0.5
Echinococcus multilocularis peroxidasin 0.0202 0.0545 0.0545
Schistosoma mansoni ceramide glucosyltransferase 0.1232 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0198 0.0512 1
Trichomonas vaginalis glucosylceramidase, putative 0.0689 0.5017 0.6022
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Echinococcus multilocularis lysosomal alpha glucosidase 0.1111 0.8893 0.8893
Echinococcus multilocularis bile acid beta glucosidase 0.0846 0.6461 0.6461
Schistosoma mansoni alpha glucosidase 0.0198 0.0512 0.0144
Trichomonas vaginalis alpha-glucosidase, putative 0.0198 0.0512 0.0614
Schistosoma mansoni alpha-glucosidase 0.101 0.7965 0.7886
Trichomonas vaginalis glucosylceramidase, putative 0.0689 0.5017 0.6022
Brugia malayi hypothetical protein 0.0202 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Echinococcus multilocularis ceramide glucosyltransferase 0.1232 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.0545 0.0545
Schistosoma mansoni ceramide glucosyltransferase 0.1232 1 1
Trypanosoma brucei glucosidase, putative 0.0198 0.0512 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0198 0.0512 1
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.1232 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0198 0.0512 0.0614
Echinococcus multilocularis lysosomal alpha glucosidase 0.1111 0.8893 0.8893
Brugia malayi Glycosyl hydrolases family 31 protein 0.1111 0.8893 0.8893
Trichomonas vaginalis glucosylceramidase, putative 0.105 0.8331 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Giardia lamblia Ceramide glucosyltransferase 0.0558 0.3819 1
Trichomonas vaginalis glucosylceramidase, putative 0.105 0.8331 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0198 0.0512 0.0614
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0846 0.6461 0.6461
Trichomonas vaginalis alpha-glucosidase, putative 0.0198 0.0512 0.0614
Brugia malayi Animal haem peroxidase family protein 0.0202 0.0545 0.0545
Brugia malayi Animal haem peroxidase family protein 0.0202 0.0545 0.0545
Trichomonas vaginalis alpha-glucosidase, putative 0.0198 0.0512 0.0614
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.105 0.8331 0.8331
Schistosoma mansoni bile acid beta-glucosidase-related 0.0846 0.6461 0.6324
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.0545 0.0545
Trichomonas vaginalis glucosylceramidase, putative 0.0689 0.5017 0.6022
Schistosoma mansoni peroxidasin 0.0202 0.0545 0.0179
Schistosoma mansoni bile acid beta-glucosidase-related 0.0846 0.6461 0.6324
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1111 0.8893 0.8893
Trichomonas vaginalis glucosylceramidase, putative 0.105 0.8331 1
Loa Loa (eye worm) hypothetical protein 0.0571 0.3937 0.3937
Trichomonas vaginalis glucosylceramidase, putative 0.0689 0.5017 0.6022
Echinococcus granulosus ceramide glucosyltransferase 0.1232 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Onchocerca volvulus Glucosylceramidase homolog 0.0689 0.5017 0.473
Loa Loa (eye worm) hypothetical protein 0.0202 0.0545 0.0545
Brugia malayi Animal haem peroxidase family protein 0.0202 0.0545 0.0545
Trichomonas vaginalis maltase-glucoamylase, putative 0.0198 0.0512 0.0614
Echinococcus granulosus lysosomal alpha glucosidase 0.1111 0.8893 0.8893
Trichomonas vaginalis glucosylceramidase, putative 0.0689 0.5017 0.6022
Leishmania major alpha glucosidase II subunit, putative 0.0198 0.0512 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0726 0.5357 0.6431

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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