Detailed information for compound 808409

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.427 | Formula: C21H24N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)N1CCC(=O)N(CC1)Cc1ccccc1)c1ccccc1
  • InChi: 1S/C21H24N2O2/c1-17(19-10-6-3-7-11-19)21(25)22-13-12-20(24)23(15-14-22)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3
  • InChiKey: QLQSRIHGJDJWLB-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
Schistosoma mansoni uracil-DNA glycosylase 0.0271 0.3643 0.3969
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0105 0.1098 0.0808
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0105 0.1098 0.0808
Schistosoma mansoni glutamate receptor NMDA 0.0337 0.4655 0.5073
Plasmodium falciparum uracil-DNA glycosylase 0.0271 0.3643 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0685 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0235 0.0613
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0054 0.0316 0.0824
Echinococcus granulosus glutamate NMDA receptor subunit 0.0283 0.3832 0.3631
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0054 0.0316 0.0824
Schistosoma mansoni metabotropic glutamate receptor 0.0054 0.0316 0.0344
Echinococcus granulosus uracil DNA glycosylase 0.0271 0.3643 0.3435
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0685 1 1
Schistosoma mansoni G/t mismatch-specific thymine DNA glycosylase 0.0271 0.3643 0.3969
Brugia malayi hypothetical protein 0.0054 0.0316 0.0824
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Brugia malayi metabotropic glutamate receptor type 2 0.0054 0.0316 0.0824
Echinococcus multilocularis glutamate receptor 2 0.0283 0.3832 0.3631
Echinococcus granulosus glutamate receptor 2 0.0232 0.3049 0.2823
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0685 1 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0054 0.0316 0.0824
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0054 0.0316 0.5
Echinococcus multilocularis uracil DNA glycosylase 0.0271 0.3643 0.3435
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0054 0.0316 0.0824
Schistosoma mansoni metabotropic glutamate receptor 0.0054 0.0316 0.0344
Schistosoma mansoni hypothetical protein 0.0105 0.1098 0.1197
Loa Loa (eye worm) glutamate receptor 2 0.0283 0.3832 1
Toxoplasma gondii uracil-DNA glycosylase 0.0271 0.3643 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0283 0.3832 0.4176
Loa Loa (eye worm) glutamate receptor 0.0054 0.0316 0.0824
Brugia malayi Receptor family ligand binding region containing protein 0.0054 0.0316 0.0824
Echinococcus granulosus nmda type glutamate receptor 0.0105 0.1098 0.0808
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0453 0.6443 0.6327
Plasmodium vivax uracil-DNA glycosylase, putative 0.0271 0.3643 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0283 0.3832 1
Schistosoma mansoni glutamate receptor NMDA 0.0283 0.3832 0.4176
Schistosoma mansoni glutamate receptor kainate 0.0631 0.9177 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Loa Loa (eye worm) RGC/RGC protein kinase 0.0054 0.0316 0.0824
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0337 0.4655 0.4481
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0337 0.4655 0.4481
Schistosoma mansoni glutamate receptor kainate 0.0631 0.9177 1
Chlamydia trachomatis uracil DNA glycosylase 0.0271 0.3643 0.5
Schistosoma mansoni glutamate receptor kainate 0.0283 0.3832 0.4176
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0235 0.0613
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Brugia malayi Receptor family ligand binding region containing protein 0.0054 0.0316 0.0824
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0105 0.1098 0.0808
Mycobacterium ulcerans glycosylase 0.0271 0.3643 0.5
Entamoeba histolytica uracil-DNA glycosylase, putative 0.0271 0.3643 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0453 0.6443 0.6327
Loa Loa (eye worm) hypothetical protein 0.0048 0.0235 0.0613
Echinococcus multilocularis NMDA receptor 0.0453 0.6443 0.6327
Onchocerca volvulus 0.0054 0.0316 0.5
Onchocerca volvulus 0.0054 0.0316 0.5
Trichomonas vaginalis uracil DNA glycosylase, putative 0.0271 0.3643 0.5
Echinococcus multilocularis glutamate receptor 2 0.0232 0.3049 0.2823
Mycobacterium leprae PROBABLE URACIL-DNA GLYCOSYLASE UNG (UDG) 0.0271 0.3643 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0054 0.0316 0.0824
Mycobacterium ulcerans hypothetical protein 0.0271 0.3643 0.5
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0453 0.6443 0.6327
Schistosoma mansoni protein kinase 0.0054 0.0316 0.0344
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Schistosoma mansoni tyrosine kinase 0.0054 0.0316 0.0344
Brugia malayi Glutamate receptor 2 precursor 0.0283 0.3832 1
Trypanosoma cruzi uracil-DNA glycosylase 0.0271 0.3643 1
Entamoeba histolytica hypothetical protein, conserved 0.0271 0.3643 1
Trypanosoma brucei uracil-DNA glycosylase, putative 0.0271 0.3643 0.5
Loa Loa (eye worm) glutamate receptor 1 0.0283 0.3832 1
Mycobacterium ulcerans uracil-DNA glycosylase 0.0271 0.3643 0.5
Echinococcus granulosus glutamate receptor 2 0.0337 0.4655 0.4481
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0685 1 1
Schistosoma mansoni ATP-binding cassette transporter 0.0283 0.3832 0.4176
Loa Loa (eye worm) RGC/RGC protein kinase 0.0054 0.0316 0.0824
Treponema pallidum DNA polymerase 0.0271 0.3643 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Mycobacterium leprae conserved hypothetical protein 0.0271 0.3643 0.5
Leishmania major uracil-DNA-glycosylase, putative 0.0271 0.3643 1
Brugia malayi Guanylyl cyclase protein 23 0.0054 0.0316 0.0824
Brugia malayi Uracil-DNA glycosylase 0.0271 0.3643 0.9506
Loa Loa (eye worm) uracil-DNA glycosylase 0.0271 0.3643 0.9506
Mycobacterium tuberculosis Probable uracil DNA glycosylase, UdgB 0.0271 0.3643 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0105 0.1098 0.0808
Schistosoma mansoni glutamate receptor AMPA 0.0283 0.3832 0.4176
Wolbachia endosymbiont of Brugia malayi uracil-DNA glycosylase 0.0271 0.3643 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0685 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0316 0.0824
Echinococcus granulosus glutamate receptor subunit protein glur 0.0105 0.1098 0.0808
Schistosoma mansoni tyrosine kinase 0.0054 0.0316 0.0344
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0453 0.6443 0.6327
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0054 0.0316 0.0824
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0283 0.3832 0.3631
Echinococcus multilocularis glutamate receptor 2 0.0337 0.4655 0.4481
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0235 0.0613

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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