Detailed information for compound 727758

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.914 | Formula: C19H30ClN3O
  • H donors: 1 H acceptors: 1 LogP: 2.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1C1CCN(CC1)C)Cc1cccc(c1)Cl
  • InChi: 1S/C19H30ClN3O/c1-21-8-5-18(6-9-21)23-11-10-22(15-19(23)7-12-24)14-16-3-2-4-17(20)13-16/h2-4,13,18-19,24H,5-12,14-15H2,1H3
  • InChiKey: SUKOJZGCACLAFD-UHFFFAOYSA-N  

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 multilocularis excitatory amino acid transporter 2 0.0154 0.2973 0.2973
Echinococcus multilocularis integrin beta 2 0.0104 0.1799 0.1799
Schistosoma mansoni survival motor neuron protein 0.0059 0.0761 0.256
Echinococcus multilocularis glutamate receptor 2 0.0031 0.0116 0.0116
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0068 0.0978 0.329
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0068 0.0978 0.0978
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0068 0.0978 0.329
Echinococcus multilocularis expressed protein 0.0456 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.0154 0.2973 0.2973
Echinococcus granulosus integrin beta 2 0.0104 0.1799 0.1799
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0116 0.0116
Echinococcus granulosus neutral amino acid transporter A 0.0154 0.2973 0.2973
Treponema pallidum glutamate/aspartate transporter 0.0068 0.0978 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0074 0.1116 0.1116
Echinococcus multilocularis neutral amino acid transporter A 0.0154 0.2973 0.2973
Echinococcus multilocularis neutral amino acid transporter A 0.0154 0.2973 0.2973
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0068 0.0978 0.0978
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0154 0.2973 0.2973
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0154 0.2973 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0154 0.2973 1
Chlamydia trachomatis glutamate symporter 0.0154 0.2973 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0116 0.0116
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0154 0.2973 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0059 0.0761 0.1245
Echinococcus multilocularis Excitatory amino acid transporter 0.0154 0.2973 0.2973
Echinococcus granulosus excitatory amino acid transporter 3 0.0154 0.2973 0.2973
Echinococcus granulosus excitatory amino acid transporter 2 0.0154 0.2973 0.2973
Treponema pallidum glutamate transporter 0.0068 0.0978 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0031 0.0116 0.0116
Loa Loa (eye worm) integrin beta-2 0.014 0.2642 0.4323
Echinococcus granulosus neutral amino acid transporter A 0.0154 0.2973 0.2973
Mycobacterium ulcerans aldehyde dehydrogenase 0.0074 0.1116 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0031 0.0116 0.0389
Schistosoma mansoni aldehyde dehydrogenase 0.0074 0.1116 0.3754
Echinococcus multilocularis Excitatory amino acid transporter 0.0154 0.2973 0.2973
Mycobacterium ulcerans aldehyde dehydrogenase 0.0074 0.1116 0.5
Schistosoma mansoni integrin beta subunit 0.0082 0.1305 0.439
Schistosoma mansoni aldehyde dehydrogenase 0.0074 0.1116 0.3754
Echinococcus granulosus sodium:dicarboxylate symporter 0.0154 0.2973 0.2973
Brugia malayi hypothetical protein 0.0289 0.6112 1
Echinococcus multilocularis nmda type glutamate receptor 0.0035 0.0194 0.0194
Brugia malayi Integrin beta pat-3 precursor 0.014 0.2642 0.4323
Echinococcus granulosus excitatory amino acid transporter 2 0.0154 0.2973 0.2973
Echinococcus granulosus nmda type glutamate receptor 0.0035 0.0194 0.0194
Echinococcus multilocularis neutral amino acid transporter A 0.0154 0.2973 0.2973
Echinococcus multilocularis excitatory amino acid transporter 2 0.0154 0.2973 0.2973
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0154 0.2973 0.5
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0154 0.2973 0.2973
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0074 0.1116 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0116 0.0116
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0074 0.1116 0.1116
Loa Loa (eye worm) hypothetical protein 0.0289 0.6112 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0031 0.0116 0.0116
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0035 0.0194 0.0194
Mycobacterium ulcerans aldehyde dehydrogenase 0.0074 0.1116 0.5
Echinococcus granulosus Excitatory amino acid transporter 0.0154 0.2973 0.2973
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0116 0.0116
Echinococcus multilocularis excitatory amino acid transporter 3 0.0154 0.2973 0.2973
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0116 0.0116
Echinococcus granulosus glutamate receptor 2 0.0031 0.0116 0.0116
Toxoplasma gondii aldehyde dehydrogenase 0.0074 0.1116 0.5
Loa Loa (eye worm) excitatory amino acid transporter 0.0154 0.2973 0.4864
Brugia malayi Excitatory amino acid transporter 0.0154 0.2973 0.4864
Echinococcus granulosus survival motor neuron protein 1 0.0289 0.6112 0.6112
Schistosoma mansoni hypothetical protein 0.0059 0.0761 0.256
Echinococcus granulosus neutral amino acid transporter 0.0154 0.2973 0.2973
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0116 0.0116
Echinococcus multilocularis survival motor neuron protein 1 0.0289 0.6112 0.6112

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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