Detailed information for compound 806637

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 488.621 | Formula: C29H36N4O3
  • H donors: 0 H acceptors: 3 LogP: 4.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1nnc(o1)c1ccccc1)Cc1cccc(c1)OC1CCN(CC1)C(=O)CC1CCCC1
  • InChi: 1S/C29H36N4O3/c1-32(21-27-30-31-29(36-27)24-11-3-2-4-12-24)20-23-10-7-13-26(18-23)35-25-14-16-33(17-15-25)28(34)19-22-8-5-6-9-22/h2-4,7,10-13,18,22,25H,5-6,8-9,14-17,19-21H2,1H3
  • InChiKey: FIKICZFCDSBMDG-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma mansoni ceramide glucosyltransferase 0.9115 0.9802 1
Loa Loa (eye worm) beta-glucuronidase 0.0211 0.0138 0.0138
Trichomonas vaginalis glucosylceramidase, putative 0.6101 0.653 0.6527
Echinococcus granulosus alpha glucosidase 0.0098 0.0016 0.0007
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0125 0.0044 0.0037
Trichomonas vaginalis glucosylceramidase, putative 0.6429 0.6886 0.6884
Trichomonas vaginalis alpha-glucosidase, putative 0.1249 0.1264 0.1257
Trichomonas vaginalis glucosylceramidase, putative 0.9298 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.6101 0.653 0.6527
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1249 0.1264 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0683 0.065 0.0643
Loa Loa (eye worm) ceramide glucosyltransferase 0.9115 0.9802 0.9802
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0125 0.0044 0.0029
Echinococcus multilocularis alpha glucosidase 0.0098 0.0016 0.0007
Onchocerca volvulus 0.4553 0.485 0.4589
Trichomonas vaginalis glucosylceramidase, putative 0.6101 0.653 0.6527
Trichomonas vaginalis maltase-glucoamylase, putative 0.0683 0.065 0.0643
Schistosoma mansoni ceramide glucosyltransferase 0.9115 0.9802 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.7142 0.766 0.766
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0125 0.0044 0.0029
Trichomonas vaginalis maltase-glucoamylase, putative 0.1249 0.1264 0.1257
Trichomonas vaginalis glucosylceramidase, putative 0.6101 0.653 0.6527
Loa Loa (eye worm) hypothetical protein 0.0185 0.011 0.011
Brugia malayi Glycosyl hydrolases family 31 protein 0.7142 0.766 0.7658
Schistosoma mansoni bile acid beta-glucosidase-related 0.8459 0.909 0.9272
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0222 0.015 0.0141
Brugia malayi Glycosyl hydrolases family 31 protein 0.0683 0.065 0.0643
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0683 0.065 0.5113
Brugia malayi Beta-glucuronidase precursor 0.0211 0.0138 0.013
Schistosoma mansoni alpha-glucosidase 0.6576 0.7046 0.7185
Echinococcus multilocularis bile acid beta glucosidase 0.8459 0.909 0.9273
Leishmania major alpha glucosidase II subunit, putative 0.1249 0.1264 1
Schistosoma mansoni hypothetical protein 0.0118 0.0037 0.0022
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1249 0.1264 0.1257
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0125 0.0044 0.0029
Giardia lamblia Ceramide glucosyltransferase 0.4132 0.4394 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.0044 0.0044
Echinococcus granulosus neutral alpha glucosidase AB 0.1249 0.1264 0.1282
Brugia malayi manba-prov protein 0.0127 0.0047 0.0039
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0098 0.0016 0.0007
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0125 0.0044 0.0029
Trichomonas vaginalis alpha-glucosidase, putative 0.0683 0.065 0.0643
Trichomonas vaginalis glucosylceramidase, putative 0.9298 1 1
Echinococcus multilocularis beta galactosidase 0.0185 0.011 0.0104
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.9115 0.9802 1
Brugia malayi Ceramide glucosyltransferase 0.9115 0.9802 0.9802
Echinococcus granulosus non lysosomal glucosylceramidase 0.8459 0.909 0.9273
Entamoeba histolytica beta-galactosidase, putative 0.0265 0.0197 0.15
Echinococcus granulosus bile acid beta glucosidase 0.8459 0.909 0.9273
Echinococcus granulosus beta galactosidase 0.0185 0.011 0.0104
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0125 0.0044 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.6101 0.653 0.6527
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.9298 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0008 0.0008
Trichomonas vaginalis sucrase-isomaltase, putative 0.1249 0.1264 0.1257
Loa Loa (eye worm) hypothetical protein 0.0683 0.065 0.065
Brugia malayi Melibiase family protein 0.0125 0.0044 0.0036
Trichomonas vaginalis alpha-glucosidase, putative 0.1249 0.1264 0.1257
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0125 0.0044 0.0029
Trichomonas vaginalis glucosylceramidase, putative 0.9298 1 1
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0098 0.0016 0.0007
Toxoplasma gondii melibiase subfamily protein 0.0125 0.0044 0.0286
Trichomonas vaginalis glycoside hydrolase, putative 0.0544 0.0499 0.0491
Trypanosoma cruzi hypothetical protein, conserved 0.1249 0.1264 1
Trichomonas vaginalis glucosylceramidase, putative 0.9298 1 1
Loa Loa (eye worm) alpha amylase 0.0098 0.0016 0.0016
Onchocerca volvulus Glucosylceramidase homolog 0.6101 0.653 0.6425
Trichomonas vaginalis glucosylceramidase, putative 0.9298 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.1249 0.1264 1
Schistosoma mansoni beta-galactosidase 0.0185 0.011 0.0096
Echinococcus granulosus lysosomal alpha glucosidase 0.7142 0.766 0.7813
Mycobacterium ulcerans trehalose synthase TreS 0.0098 0.0016 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0683 0.065 0.0643
Trypanosoma brucei glucosidase, putative 0.1249 0.1264 1
Trichomonas vaginalis alpha-glucosidase, putative 0.1249 0.1264 0.1257
Echinococcus granulosus ceramide glucosyltransferase 0.9115 0.9802 1
Trichomonas vaginalis beta-mannosidase, putative 0.0127 0.0047 0.0039
Schistosoma mansoni alpha glucosidase 0.1249 0.1264 0.1276
Trichomonas vaginalis alpha-glucosidase, putative 0.0683 0.065 0.0643
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0098 0.0016 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.6101 0.653 0.6527
Trichomonas vaginalis glycoside hydrolases, putative 0.0232 0.0161 0.0152
Trichomonas vaginalis glucosylceramidase, putative 0.6101 0.653 0.6527
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0125 0.0044 0.0037
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0098 0.0016 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.1249 0.1264 0.1257
Schistosoma mansoni beta-mannosidase 0.0127 0.0047 0.0032
Trichomonas vaginalis beta-galactosidase, putative 0.0393 0.0335 0.0327
Trichomonas vaginalis glucosylceramidase, putative 0.6429 0.6886 0.6884
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0125 0.0044 0.0029
Loa Loa (eye worm) hypothetical protein 0.0559 0.0516 0.0516
Echinococcus multilocularis non lysosomal glucosylceramidase 0.8459 0.909 0.9273
Trypanosoma cruzi hypothetical protein, conserved 0.1249 0.1264 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1249 0.1264 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.1249 0.1264 0.1282
Loa Loa (eye worm) alpha amylase 0.0098 0.0016 0.0016
Trichomonas vaginalis alpha-glucosidase, putative 0.0683 0.065 0.0643
Trichomonas vaginalis conserved hypothetical protein 0.0393 0.0335 0.0327
Schistosoma mansoni alpha-glucosidase 0.6576 0.7046 0.7185
Echinococcus multilocularis lysosomal alpha glucosidase 0.7142 0.766 0.7813
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0098 0.0016 0.0057
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0683 0.065 0.0643
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1249 0.1264 0.1257
Mycobacterium tuberculosis Trehalose synthase TreS 0.0098 0.0016 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.1249 0.1264 0.1257
Trichomonas vaginalis beta-glucosidase, putative 0.0232 0.0161 0.0152
Schistosoma mansoni hypothetical protein 0.0289 0.0223 0.0212
Trichomonas vaginalis glucosylceramidase, putative 0.9298 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0683 0.065 0.0643
Schistosoma mansoni bile acid beta-glucosidase-related 0.8459 0.909 0.9272
Echinococcus multilocularis lysosomal alpha glucosidase 0.7142 0.766 0.7813
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0222 0.015 0.015
Echinococcus multilocularis ceramide glucosyltransferase 0.9115 0.9802 1
Loa Loa (eye worm) hypothetical protein 0.571 0.6106 0.6106
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1249 0.1264 0.1264
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0125 0.0044 0.0037
Brugia malayi Glycosyl hydrolases family 31 protein 0.1249 0.1264 0.1257

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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