Detailed information for compound 324971

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 271.396 | Formula: C15H29NO3
  • H donors: 3 H acceptors: 2 LogP: 2.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCN[C@@H]1CC2CO[C@@H]([C@@H]1O)[C@@H]2O
  • InChi: 1S/C15H29NO3/c1-2-3-4-5-6-7-8-16-12-9-11-10-19-15(13(11)17)14(12)18/h11-18H,2-10H2,1H3/t11?,12-,13+,14?,15?/m1/s1
  • InChiKey: SEYOOKGOPRUZLN-JPUNKOQHSA-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
Echinococcus granulosus nmda type glutamate receptor 0.043 0.594 0.5926
Echinococcus granulosus nmda type glutamate receptor 0.0261 0.2531 0.2506
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0135 0 0.5
Schistosoma mansoni lipoxygenase 0.0442 0.6173 0.5712
Echinococcus granulosus glutamate receptor NMDA 0.0225 0.1804 0.1777
Echinococcus multilocularis nmda type glutamate receptor 0.043 0.594 0.5926
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0188 0.1076 0.1046
Echinococcus multilocularis glutamate receptor NMDA 0.0225 0.1804 0.1777
Schistosoma mansoni glutamate receptor NMDA 0.0361 0.4556 0.39
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0205 0.1417 0.1389
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0135 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0135 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0135 0 0.5
Chlamydia trachomatis glutamine binding protein 0.0135 0 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0188 0.1076 0.1046
Schistosoma mansoni lipoxygenase 0.0632 1 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0135 0 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0261 0.2531 0.2506
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0632 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) 0 M Inhibition of Alpha-galactosidase of green coffee beans; NI=no inhibition ChEMBL. 15380224
IC50 (binding) NI 0 M Inhibition of Beta-galactosidase of bovine liver; NI=inhibition ChEMBL. 15380224
IC50 (binding) 0 M Inhibition of Alpha-Glucosidase of Bakers yeast; NI=no inhibition ChEMBL. 15380224
IC50 (binding) 0 M Inhibition of Beta-glucosidase of almond; NI denotes no inhibition ChEMBL. 15380224
IC50 (binding) 0 M Inhibition of Alpha-fucosidase of bovine kidney; NI=no inhibition ChEMBL. 15380224
IC50 (binding) 0 M Inhibition of alpha-mannosidase of Jack beans; NI denotes no inhibition ChEMBL. 15380224

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

1 literature reference was collected for this gene.

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