Detailed information for compound 806607

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 451.558 | Formula: C26H33N3O4
  • H donors: 1 H acceptors: 3 LogP: 3.83 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)OCCN(C(=O)c1cn(cc(c1=O)C(=O)NC1CC1)C1CCCCC1)C
  • InChi: 1S/C26H33N3O4/c1-18-8-12-21(13-9-18)33-15-14-28(2)26(32)23-17-29(20-6-4-3-5-7-20)16-22(24(23)30)25(31)27-19-10-11-19/h8-9,12-13,16-17,19-20H,3-7,10-11,14-15H2,1-2H3,(H,27,31)
  • InChiKey: OBRPDUTXHJCFII-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 alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0061 0.0066
Onchocerca volvulus 0.0149 0.0101 0.0112
Loa Loa (eye worm) hypothetical protein 0.0149 0.0101 0.0101
Loa Loa (eye worm) alpha amylase 0.0135 0.0086 0.0086
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1725 0.1721 0.1806
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0135 0.0086 0.5
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0135 0.0086 0.0086
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.011 0.0061 0.0064
Onchocerca volvulus 0.0149 0.0101 0.0112
Trichomonas vaginalis alpha-glucosidase, putative 0.0968 0.0943 0.0989
Brugia malayi Trehalase family protein 0.0149 0.0101 0.0101
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0092 0.0043 0.0046
Echinococcus granulosus bile acid beta glucosidase 0.8359 0.8542 0.8536
Loa Loa (eye worm) hypothetical protein 0.011 0.0061 0.0061
Echinococcus granulosus glycogen debranching enzyme 0.0227 0.0181 0.0139
Schistosoma mansoni alpha-amylase 0.0135 0.0086 0.0093
Trichomonas vaginalis alpha-glucosidase, putative 0.1725 0.1721 0.1806
Echinococcus granulosus lysosomal alpha glucosidase 0.9777 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.0117 0.0126
Schistosoma mansoni hypothetical protein 0.0292 0.0248 0.0269
Trichomonas vaginalis beta-glucosidase, putative 0.0204 0.0158 0.0166
Echinococcus multilocularis lysosomal alpha glucosidase 0.9777 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1725 0.1721 0.1806
Trypanosoma brucei glucosidase, putative 0.1725 0.1721 1
Trichomonas vaginalis glucosylceramidase, putative 0.932 0.953 1
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.0101 0.0106
Echinococcus multilocularis ceramide glucosyltransferase 0.8793 0.8988 0.8988
Trichomonas vaginalis glycoside hydrolase, putative 0.0479 0.044 0.0462
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1725 0.1721 0.1721
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0227 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0051 0.0001 0.0001
Trichomonas vaginalis glucosylceramidase, putative 0.6115 0.6235 0.6542
Brugia malayi Trehalase family protein 0.0149 0.0101 0.0101
Trichomonas vaginalis alpha-glucosidase, putative 0.1725 0.1721 0.1806
Loa Loa (eye worm) TRE-1 protein 0.0149 0.0101 0.0101
Schistosoma mansoni bile acid beta-glucosidase-related 0.8359 0.8542 0.9263
Schistosoma mansoni bile acid beta-glucosidase-related 0.8359 0.8542 0.9263
Schistosoma mansoni alpha-amylase 0.0135 0.0086 0.0093
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.8793 0.8988 1
Loa Loa (eye worm) hypothetical protein 0.0822 0.0793 0.0793
Trypanosoma cruzi hypothetical protein, conserved 0.1725 0.1721 1
Echinococcus multilocularis beta galactosidase 0.0493 0.0455 0.0455
Trichomonas vaginalis alpha-glucosidase, putative 0.1725 0.1721 0.1806
Schistosoma mansoni alpha-amylase 0.0135 0.0086 0.0093
Schistosoma mansoni hypothetical protein 0.0137 0.0089 0.0096
Brugia malayi Glycosyl hydrolases family 31 protein 0.1725 0.1721 0.1721
Loa Loa (eye worm) hypothetical protein 0.0149 0.0101 0.0101
Onchocerca volvulus 0.0149 0.0101 0.0112
Mycobacterium tuberculosis Trehalose synthase TreS 0.0135 0.0086 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0968 0.0943 0.0989
Loa Loa (eye worm) hypothetical protein 0.0051 0.0001 0.0001
Onchocerca volvulus 0.0149 0.0101 0.0112
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0061 0.0066
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0227 0.0181 0.019
Echinococcus multilocularis bile acid beta glucosidase 0.8359 0.8542 0.8542
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.932 0.953 0.953
Trichomonas vaginalis glucosylceramidase, putative 0.932 0.953 1
Onchocerca volvulus Glucosylceramidase homolog 0.6115 0.6235 0.6937
Loa Loa (eye worm) hypothetical protein 0.0149 0.0101 0.0101
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1725 0.1721 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0968 0.0943 0.0989
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.011 0.0061 0.0018
Trichomonas vaginalis maltase-glucoamylase, putative 0.1725 0.1721 0.1806
Loa Loa (eye worm) hypothetical protein 0.0051 0.0001 0.0001
Brugia malayi Trehalase protein 5 0.0051 0.0001 0.0001
Trichomonas vaginalis glucosylceramidase, putative 0.932 0.953 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.0101 0.0101
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.011 0.0061 0.0061
Entamoeba histolytica beta-galactosidase, putative 0.0234 0.0188 0.0622
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0092 0.0043 0.0093
Plasmodium vivax hypothetical protein, conserved 0.0151 0.0103 0.5
Trypanosoma brucei glycosyl hydrolase-like protein 0.0968 0.0943 0.5405
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0227 0.0181 0.019
Loa Loa (eye worm) trehalase 0.0149 0.0101 0.0101
Brugia malayi Trehalase family protein 0.0149 0.0101 0.0101
Trichomonas vaginalis glucosylceramidase, putative 0.932 0.953 1
Brugia malayi hypothetical protein 0.0051 0.0001 0.0001
Brugia malayi hypothetical protein 0.0149 0.0101 0.0101
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0151 0.0103 0.5
Brugia malayi Trehalase family protein 0.0051 0.0001 0.0001
Mycobacterium ulcerans trehalose synthase TreS 0.0135 0.0086 1
Echinococcus granulosus non lysosomal glucosylceramidase 0.8359 0.8542 0.8536
Schistosoma mansoni ceramide glucosyltransferase 0.8793 0.8988 0.9747
Brugia malayi Melibiase family protein 0.011 0.0061 0.0061
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0968 0.0943 0.0989
Onchocerca volvulus 0.0149 0.0101 0.0112
Loa Loa (eye worm) trehalase 0.0051 0.0001 0.0001
Trichomonas vaginalis alpha-glucosidase, putative 0.1725 0.1721 0.1806
Loa Loa (eye worm) alpha amylase 0.0135 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0968 0.0943 0.0943
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0227 0.0181 0.0727
Schistosoma mansoni alpha-glucosidase 0.902 0.9222 1
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0135 0.0086 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.1725 0.1721 0.1806
Leishmania major alpha glucosidase II subunit, putative 0.1725 0.1721 1
Brugia malayi trehalase 0.0051 0.0001 0.0001
Loa Loa (eye worm) trehalase 0.0149 0.0101 0.0101
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0968 0.0943 0.5362
Loa Loa (eye worm) hypothetical protein 0.0227 0.0181 0.0181
Trichomonas vaginalis glucosylceramidase, putative 0.6115 0.6235 0.6542
Trypanosoma cruzi hypothetical protein, conserved 0.1725 0.1721 1
Brugia malayi hypothetical protein 0.0051 0.0001 0.0001
Brugia malayi Trehalase family protein 0.0051 0.0001 0.0001
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.932 0.953 0.953
Loa Loa (eye worm) hypothetical protein 0.0097 0.0048 0.0048
Echinococcus multilocularis alpha glucosidase 0.0135 0.0086 0.0086
Loa Loa (eye worm) trehalase 0.0149 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0074 0.0024 0.0024
Echinococcus granulosus ceramide glucosyltransferase 0.8793 0.8988 0.8984
Schistosoma mansoni beta-galactosidase 0.0493 0.0455 0.0494
Loa Loa (eye worm) hypothetical protein 0.0074 0.0024 0.0024
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0111 0.0062 0.0062
Brugia malayi Beta-glucuronidase precursor 0.0186 0.0139 0.0139
Trichomonas vaginalis alpha-glucosidase, putative 0.0968 0.0943 0.0989
Trichomonas vaginalis glucosylceramidase, putative 0.6445 0.6574 0.6898
Brugia malayi hypothetical protein 0.0051 0.0001 0.0001
Schistosoma mansoni alpha-glucosidase 0.902 0.9222 1
Trichomonas vaginalis conserved hypothetical protein 0.0117 0.0068 0.0071
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1725 0.1721 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0061 0.0066
Trichomonas vaginalis alpha-glucosidase, putative 0.0968 0.0943 0.0989
Echinococcus granulosus alpha glucosidase 0.0135 0.0086 0.0044
Trichomonas vaginalis glucosylceramidase, putative 0.932 0.953 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0968 0.0943 0.0989
Loa Loa (eye worm) TRE-2 protein 0.0149 0.0101 0.0101
Loa Loa (eye worm) ceramide glucosyltransferase 0.8793 0.8988 0.8988
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0195 0.0149 0.0149
Brugia malayi Glycosyl hydrolases family 31 protein 0.0968 0.0943 0.0943
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0968 0.0943 0.1049
Trichomonas vaginalis alpha-glucosidase, putative 0.0968 0.0943 0.0989
Schistosoma mansoni alpha glucosidase 0.1725 0.1721 0.1866
Loa Loa (eye worm) hypothetical protein 0.0493 0.0455 0.0455
Trichomonas vaginalis glucosylceramidase, putative 0.6115 0.6235 0.6542
Trichomonas vaginalis glucosylceramidase, putative 0.6115 0.6235 0.6542
Loa Loa (eye worm) hypothetical protein 0.0149 0.0101 0.0101
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0968 0.0943 0.5362
Trichomonas vaginalis glucosylceramidase, putative 0.6445 0.6574 0.6898
Echinococcus multilocularis glycogen debranching enzyme 0.0227 0.0181 0.0181
Trichomonas vaginalis alpha-glucosidase, putative 0.1725 0.1721 0.1806
Loa Loa (eye worm) beta-glucuronidase 0.0186 0.0139 0.0139
Trichomonas vaginalis trehalase, putative 0.0149 0.0101 0.0106
Schistosoma mansoni alpha-amylase 0.0135 0.0086 0.0093
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0195 0.0149 0.0149
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0061 0.0066
Loa Loa (eye worm) hypothetical protein 0.5643 0.5749 0.5749
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.9777 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0001 0.0001
Trichomonas vaginalis beta-mannosidase, putative 0.0112 0.0063 0.0066
Trichomonas vaginalis glucosylceramidase, putative 0.6115 0.6235 0.6542
Trichomonas vaginalis beta-galactosidase, putative 0.0346 0.0303 0.0318
Schistosoma mansoni alpha-amylase 0.0135 0.0086 0.0093
Onchocerca volvulus 0.6506 0.6637 0.7384
Entamoeba histolytica glycogen debranching enzyme, putative 0.0227 0.0181 0.0583
Trichomonas vaginalis glucosylceramidase, putative 0.6115 0.6235 0.6542
Loa Loa (eye worm) trehalase 0.0051 0.0001 0.0001
Echinococcus multilocularis lysosomal alpha glucosidase 0.9777 1 1
Brugia malayi manba-prov protein 0.0112 0.0063 0.0063
Echinococcus multilocularis neutral alpha glucosidase AB 0.1725 0.1721 0.1721
Schistosoma mansoni ceramide glucosyltransferase 0.8793 0.8988 0.9747
Trichomonas vaginalis glucosylceramidase, putative 0.932 0.953 1
Treponema pallidum hypothetical protein 0.0051 0.0001 0.5
Trichomonas vaginalis glycoside hydrolases, putative 0.0204 0.0158 0.0166
Echinococcus multilocularis lysosomal alpha mannosidase 0.0092 0.0043 0.0043
Echinococcus granulosus neutral alpha glucosidase AB 0.1725 0.1721 0.1685
Brugia malayi Trehalase family protein 0.0149 0.0101 0.0101
Schistosoma mansoni beta-mannosidase 0.0112 0.0063 0.0068
Onchocerca volvulus Trehalase homolog 0.0149 0.0101 0.0112
Giardia lamblia Ceramide glucosyltransferase 0.3986 0.4046 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.011 0.0061 0.0061
Trypanosoma brucei RNA helicase, putative 0.0137 0.0089 0.0365
Schistosoma mansoni hypothetical protein 0.0255 0.0209 0.0227
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0135 0.0086 0.0086
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.1725 0.1721 1
Echinococcus multilocularis non lysosomal glucosylceramidase 0.8359 0.8542 0.8542
Brugia malayi Ceramide glucosyltransferase 0.8793 0.8988 0.8988
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.0303 0.0318
Brugia malayi trehalase I 0.0051 0.0001 0.0001
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0968 0.0943 0.5239
Echinococcus granulosus beta galactosidase 0.0493 0.0455 0.0414
Trichomonas vaginalis glucosylceramidase, putative 0.6115 0.6235 0.6542
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0061 0.0066
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0061 0.0066

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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