Detailed information for compound 1744166

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.465 | Formula: C19H30N4O6
  • H donors: 3 H acceptors: 5 LogP: -0.82 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC[C@H](N1)C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N)CCC(=O)OC(C)(C)C
  • InChi: 1S/C19H30N4O6/c1-19(2,3)29-15(25)9-7-12(22-17(27)11-6-8-14(24)21-11)18(28)23-10-4-5-13(23)16(20)26/h11-13H,4-10H2,1-3H3,(H2,20,26)(H,21,24)(H,22,27)/t11-,12?,13-/m0/s1
  • InChiKey: BWYRUNKPHFALST-RXTYADHFSA-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
Brugia malayi Glutamate receptor 2 precursor 0.0037 0.013 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0094 0.1523 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0445 1 1
Echinococcus multilocularis glutamate receptor 2 0.0056 0.0587 0.0476
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0131 0.2414 0.2325
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0196 0.0082
Schistosoma mansoni glutamate receptor NMDA 0.0369 0.8173 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0056 0.0587 0.0476
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0037 0.013 0.0014
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0037 0.013 0.0014
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0037 0.013 0.0014
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0056 0.0587 0.0476
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0037 0.013 0.0014
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0037 0.013 0.0014
Brugia malayi Glutamate receptor 1 precursor 0.0037 0.013 1
Chlamydia trachomatis glutamine binding protein 0.0094 0.1523 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0037 0.013 0.0014
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0094 0.1523 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0056 0.0587 0.0476
Echinococcus granulosus nmda type glutamate receptor 0.0333 0.7282 0.725
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0094 0.1523 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0333 0.7282 0.725
Echinococcus granulosus glutamate receptor NMDA 0.0314 0.6825 0.6788
Echinococcus granulosus glutamate receptor 2 0.0056 0.0587 0.0476
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0056 0.0587 0.0476
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0056 0.0587 0.0476
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0094 0.1523 0.5
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0196 0.0082
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0058 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0056 0.0587 0.0476
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0056 0.0587 0.0476
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0058 0.5
Echinococcus multilocularis glutamate receptor 2 0.0037 0.013 0.0014
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0116 0.8904
Echinococcus multilocularis glutamate receptor NMDA 0.0314 0.6825 0.6788
Echinococcus multilocularis NMDA receptor 0.0037 0.013 0.0014
Loa Loa (eye worm) glutamate receptor 1 0.0037 0.013 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0037 0.013 0.0014
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0056 0.0587 0.0476
Loa Loa (eye worm) glutamate receptor 2 0.0037 0.013 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0037 0.013 0.0014
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0094 0.1523 0.5
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0037 0.013 0.0014

Activities

Activity type Activity value Assay description Source Reference
T1/2 (ADMET) = 70 min Half-life of the compound was determined using mouse brain homogenate ChEMBL. 12643900

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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