Detailed information for compound 1527462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.88 | Formula: C19H26ClN3O4
  • H donors: 5 H acceptors: 3 LogP: 1.93 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(COc1ccc(cc1)O)CNCCNC(=O)NCc1ccccc1.Cl
  • InChi: 1S/C19H25N3O4.ClH/c23-16-6-8-18(9-7-16)26-14-17(24)13-20-10-11-21-19(25)22-12-15-4-2-1-3-5-15;/h1-9,17,20,23-24H,10-14H2,(H2,21,22,25);1H
  • InChiKey: HWGVIVQCWMYNKY-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
Loa Loa (eye worm) glutamate receptor 1 0.0048 0.0305 0.3277
Echinococcus multilocularis expressed conserved protein 0.009 0.0856 0.0856
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0123 0.1285 0.5
Schistosoma mansoni eyes absent homolog 0.0086 0.08 0.1099
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0123 0.1285 0.5
Loa Loa (eye worm) glutamate receptor 2 0.0048 0.0305 0.3277
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0048 0.0305 0.0305
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0932 0.0932
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0048 0.0305 0.0305
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0048 0.0305 0.0357
Echinococcus multilocularis glutamate receptor 2 0.0048 0.0305 0.0305
Schistosoma mansoni hypothetical protein 0.0048 0.0305 0.0419
Echinococcus multilocularis NMDA receptor 0.0048 0.0305 0.0305
Brugia malayi CHE-14 protein 0.0041 0.0217 0.2324
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0073 0.0627 0.0627
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0073 0.0627 0.0732
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0123 0.1285 0.5
Schistosoma mansoni glutamate receptor kainate 0.0048 0.0305 0.0419
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0073 0.0627 0.0732
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0217 0.0253
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0073 0.0627 0.0627
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0217 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.147 0.1716
Leishmania major extracellular receptor, putative 0.0025 0 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0123 0.1285 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0073 0.0627 0.0627
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0932 1
Schistosoma mansoni ATP-binding cassette transporter 0.0048 0.0305 0.0419
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0073 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0041 0.0217 0.2324
Loa Loa (eye worm) hypothetical protein 0.0086 0.08 0.8589
Schistosoma mansoni glutamate receptor kainate 0.0048 0.0305 0.0419
Chlamydia trachomatis glutamine binding protein 0.0123 0.1285 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0338 0.3622
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0048 0.0305 0.0305
Schistosoma mansoni hypothetical protein 0.004 0.0197 0.0271
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0025 0 0.5
Schistosoma mansoni hypothetical protein 0.004 0.0197 0.0271
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0217 0.2324
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0217 0.0253
Schistosoma mansoni patched 1 0.0041 0.0217 0.0297
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0048 0.0305 0.0305
Schistosoma mansoni hypothetical protein 0.004 0.0197 0.0271
Brugia malayi Glutamate receptor 2 precursor 0.0048 0.0305 0.3277
Onchocerca volvulus 0.0025 0 0.5
Schistosoma mansoni glutamate receptor kainate 0.0048 0.0305 0.0419
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0932 1
Brugia malayi Glutamate receptor 1 precursor 0.0048 0.0305 0.3277
Echinococcus multilocularis protein patched 0.0041 0.0217 0.0217
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0217 0.0217
Schistosoma mansoni glutamate receptor AMPA 0.0048 0.0305 0.0419
Schistosoma mansoni glutamate receptor AMPA 0.0048 0.0305 0.0419
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0951 0.1307
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0048 0.0305 0.0357
Brugia malayi hypothetical protein 0.0086 0.08 0.8589
Trypanosoma cruzi extracellular receptor, putative 0.0025 0 0.5
Echinococcus granulosus glutamate receptor 2 0.0073 0.0627 0.0732
Echinococcus granulosus glutamate receptor NMDA 0.051 0.6332 0.7393
Echinococcus granulosus glutamate receptor subunit protein glur 0.0048 0.0305 0.0357
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0073 0.0627 0.0732
Onchocerca volvulus 0.0025 0 0.5
Schistosoma mansoni hypothetical protein 0.004 0.0197 0.0271
Echinococcus multilocularis nmda type glutamate receptor 0.0681 0.8565 0.8565
Echinococcus granulosus glutamate NMDA receptor subunit 0.0048 0.0305 0.0357
Echinococcus granulosus nmda type glutamate receptor 0.0681 0.8565 1
Echinococcus multilocularis glutamate receptor NMDA 0.051 0.6332 0.6332
Echinococcus granulosus expressed conserved protein 0.009 0.0856 0.0999
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0123 0.1285 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0932 0.1088
Echinococcus multilocularis glutamate receptor 2 0.0073 0.0627 0.0627
Echinococcus multilocularis protein dispatched 1 0.0047 0.0293 0.0293
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0048 0.0305 0.0357
Loa Loa (eye worm) hypothetical protein 0.0086 0.08 0.8589
Schistosoma mansoni glutamate receptor NMDA 0.0048 0.0305 0.0419
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0073 0.0627 0.0732
Loa Loa (eye worm) hypothetical protein 0.0096 0.0932 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.147 0.147
Schistosoma mansoni glutamate receptor NMDA 0.0583 0.728 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0171 0.1911 0.1911
Echinococcus granulosus nmda type glutamate receptor 0.0535 0.6653 0.7768
Echinococcus multilocularis nmda type glutamate receptor 0.0535 0.6653 0.6653

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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