Detailed information for compound 354707

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.402 | Formula: C16H27N3O6
  • H donors: 4 H acceptors: 6 LogP: -2.29 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)O)N
  • InChi: 1S/C16H27N3O6/c1-2-3-5-10(17)15(23)19-9-4-6-12(19)14(22)18-11(16(24)25)7-8-13(20)21/h10-12H,2-9,17H2,1H3,(H,18,22)(H,20,21)(H,24,25)/t10-,11-,12-/m0/s1
  • InChiKey: SGASVGGGJFNOSL-SRVKXCTJSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL References

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
Plasmodium falciparum cysteine repeat modular protein 1 0.0037 0 0.5
Brugia malayi Delta serrate ligand family protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) blistered cuticle protein 3 0.0571 1 1
Loa Loa (eye worm) Notch2 0.0185 0.2761 0.2761
Echinococcus multilocularis neurogenic locus notch protein 0.0185 0.2761 0.2761
Onchocerca volvulus 0.0185 0.2761 0.2761
Schistosoma mansoni notch 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni notch 0.0185 0.2761 0.2761
Onchocerca volvulus Putative cubilin 0.0185 0.2761 0.2761
Echinococcus multilocularis neurogenic locus protein delta 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Schistosoma mansoni notch 0.0185 0.2761 0.2761
Brugia malayi EGF-like domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) animal heme peroxidase 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0185 0.2761 0.2761
Onchocerca volvulus 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0185 0.2761 0.2761
Onchocerca volvulus 0.0571 1 1
Echinococcus multilocularis protein jagged 1 0.0185 0.2761 0.2761
Onchocerca volvulus 0.0571 1 1
Onchocerca volvulus Peroxidase homolog 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Onchocerca volvulus 0.0185 0.2761 0.2761
Echinococcus granulosus neurogenic locus notch protein 0.0185 0.2761 0.2761
Onchocerca volvulus Peroxidasin homolog 0.0571 1 1
Schistosoma mansoni cell polarity protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Echinococcus multilocularis neurogenic locus notch protein 4 0.0185 0.2761 0.2761
Brugia malayi EGF-like domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Echinococcus multilocularis protein jagged 1 0.0185 0.2761 0.2761
Brugia malayi Calcium binding EGF domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Toxoplasma gondii EGF family domain-containing protein 0.0185 0.2761 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0185 0.2761 0.2761
Echinococcus multilocularis peroxidasin 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni peroxidasin 0.0571 1 1
Brugia malayi EGF-like domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni hypothetical protein 0.0185 0.2761 0.2761
Onchocerca volvulus Slit protein homolog 0.0185 0.2761 0.2761
Echinococcus multilocularis protein jagged 2 0.0185 0.2761 0.2761
Onchocerca volvulus 0.0185 0.2761 0.2761
Schistosoma mansoni hypothetical protein 0.0185 0.2761 0.2761
Brugia malayi Cadherin domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Brugia malayi notch-like transmembrane receptor 0.0185 0.2761 0.2761
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0037 0 0.5
Brugia malayi EGF-like domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni notch 0.0185 0.2761 0.2761
Echinococcus multilocularis neurogenic locus notch protein 0.0185 0.2761 0.2761
Echinococcus granulosus fibropellin Ia 0.0185 0.2761 0.2761
Brugia malayi GCC2 and GCC3 family protein 0.0185 0.2761 0.2761
Echinococcus granulosus protein jagged 1 0.0185 0.2761 0.2761
Schistosoma mansoni hypothetical protein 0.0185 0.2761 0.2761
Brugia malayi Peroxidasin 0.0571 1 1
Brugia malayi Blistered cuticle protein 3 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Brugia malayi EGF-like domain containing protein 0.0185 0.2761 0.2761
Onchocerca volvulus 0.0185 0.2761 0.2761
Onchocerca volvulus Chorion peroxidase homolog 0.0571 1 1
Onchocerca volvulus Dual oxidase homolog 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni notch 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Onchocerca volvulus Neurogenic locus notch homolog 0.0185 0.2761 0.2761
Loa Loa (eye worm) animal heme peroxidase 0.0571 1 1
Echinococcus granulosus protein jagged 2 0.0185 0.2761 0.2761
Echinococcus multilocularis slit 2 protein 0.0185 0.2761 0.2761
Brugia malayi Calcium binding EGF domain containing protein 0.0185 0.2761 0.2761
Brugia malayi EGF-like domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0185 0.2761 0.2761
Schistosoma mansoni notch 0.0185 0.2761 0.2761
Schistosoma mansoni peroxidasin 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Onchocerca volvulus Peroxidase homolog 0.0571 1 1
Onchocerca volvulus 0.0571 1 1
Echinococcus granulosus peroxidasin 0.0571 1 1
Schistosoma mansoni hypothetical protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) notch protein 0.0185 0.2761 0.2761
Schistosoma mansoni hypothetical protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni hypothetical protein 0.0185 0.2761 0.2761
Brugia malayi Animal haem peroxidase family protein 0.0571 1 1
Echinococcus multilocularis fibropellin Ia 0.0185 0.2761 0.2761
Brugia malayi Muscle positioning protein 4 0.0185 0.2761 0.2761
Brugia malayi Calcium binding EGF domain containing protein 0.0185 0.2761 0.2761
Echinococcus multilocularis notch 0.0185 0.2761 0.2761
Schistosoma mansoni hypothetical protein 0.0185 0.2761 0.2761
Echinococcus granulosus neural cadherin 0.0185 0.2761 0.2761
Echinococcus granulosus neurogenic locus protein delta 0.0185 0.2761 0.2761
Echinococcus multilocularis neural cadherin 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Echinococcus multilocularis neurogenic locus protein delta 0.0185 0.2761 0.2761
Echinococcus granulosus neurogenic locus notch protein 0.0185 0.2761 0.2761
Leishmania major hypothetical protein, conserved 0.0037 0 0.5
Echinococcus granulosus protein jagged 1 0.0185 0.2761 0.2761
Brugia malayi Animal haem peroxidase family protein 0.0571 1 1
Brugia malayi EGF-like domain containing protein 0.0185 0.2761 0.2761
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni septate junction protein 0.0185 0.2761 0.2761
Brugia malayi Animal haem peroxidase family protein 0.0571 1 1
Echinococcus granulosus protein jagged 2 0.0185 0.2761 0.2761
Echinococcus granulosus neurogenic locus notch protein 4 0.0185 0.2761 0.2761
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni slit 0.0185 0.2761 0.2761
Echinococcus granulosus notch 0.0185 0.2761 0.2761
Brugia malayi Cadherin domain containing protein 0.0185 0.2761 0.2761
Onchocerca volvulus Peroxidasin homolog 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Echinococcus granulosus delta-like protein 1 0.0185 0.2761 0.2761
Loa Loa (eye worm) animal heme peroxidase 0.0571 1 1
Giardia lamblia High cysteine protein 0.0185 0.2761 0.5
Loa Loa (eye worm) hypothetical protein 0.0571 1 1
Echinococcus granulosus slit 2 protein 0.0185 0.2761 0.2761
Brugia malayi Animal haem peroxidase family protein 0.0571 1 1
Brugia malayi Animal haem peroxidase family protein 0.0571 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2761 0.2761
Schistosoma mansoni laminin gamma-3 chain 0.0185 0.2761 0.2761

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 19.5 uM Displacement of L-[3H]glutamate from glutamate receptor in rat brain synaptic membrane ChEMBL. 16321525
Ki (binding) = 19.5 uM Displacement of L-[3H]glutamate from glutamate receptor in rat brain synaptic membrane ChEMBL. 16321525

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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