Detailed information for compound 1012078

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.299 | Formula: C14H20N3O6P
  • H donors: 3 H acceptors: 5 LogP: 1.48 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1ccc2c(c1)nc(n2COP(=O)(O)O)NC(=O)OC
  • InChi: 1S/C14H20N3O6P/c1-3-4-5-10-6-7-12-11(8-10)15-13(16-14(18)22-2)17(12)9-23-24(19,20)21/h6-8H,3-5,9H2,1-2H3,(H,15,16,18)(H2,19,20,21)
  • InChiKey: OQUVGDWOSSDPRJ-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-glucosidase 0.0163 0.8424 1
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.1196 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0 0.5
Brugia malayi RNA binding protein 0.0074 0.3114 0.3114
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1196 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1883 0.2236
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0074 0.3114 0.3114
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1883 0.1883
Schistosoma mansoni alpha glucosidase 0.0042 0.1196 0.1419
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3114 0.3697
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.1196 0.1196
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1883 0.1883
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1883 0.2236
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.1196 1
Echinococcus multilocularis tar DNA binding protein 0.0074 0.3114 0.3114
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0189 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1883 0.2236
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.1196 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1196 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.1196 0.1196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1883 0.1883
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0 0.5
Onchocerca volvulus 0.0109 0.5229 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1196 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1883 0.1883
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.1196 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3114 0.3697
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1883 0.1883
Schistosoma mansoni alpha-glucosidase 0.0163 0.8424 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.3114 0.3114
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0189 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.3114 0.3114
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1196 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1883 0.1883
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1196 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.1196 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1196 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3114 0.3697
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.1196 0.1196
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3114 0.3697
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1196 1
Loa Loa (eye worm) TAR-binding protein 0.0074 0.3114 0.3114
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.1196 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.1196 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.1196 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.1196 0.1196
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3114 0.3697
Trypanosoma brucei glucosidase, putative 0.0042 0.1196 1
Brugia malayi TAR-binding protein 0.0074 0.3114 0.3114
Echinococcus granulosus tar DNA binding protein 0.0074 0.3114 0.3114

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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