Detailed information for compound 277410

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.863 | Formula: C16H26ClN5O2
  • H donors: 2 H acceptors: 2 LogP: 2.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC(C1)NC(=O)c1cc(Cl)c(nc1NC)OC)C
  • InChi: 1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)16(24-4)20-14(12)18-2/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)
  • InChiKey: JKXXUVHVFJOIIU-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
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Onchocerca volvulus 0.0243 0.3092 0.3092
Echinococcus granulosus neurogenic locus protein delta 0.0243 0.3092 0.3092
Onchocerca volvulus 0.0243 0.3092 0.3092
Echinococcus granulosus neurogenic locus notch protein 0.0243 0.3092 0.3092
Echinococcus granulosus protein jagged 2 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Echinococcus granulosus delta-like protein 1 0.0243 0.3092 0.3092
Loa Loa (eye worm) notch protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) animal heme peroxidase 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Brugia malayi Delta serrate ligand family protein 0.0243 0.3092 0.3092
Schistosoma mansoni notch 0.0243 0.3092 0.3092
Brugia malayi Calcium binding EGF domain containing protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Schistosoma mansoni notch 0.0243 0.3092 0.3092
Onchocerca volvulus Peroxidase homolog 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Brugia malayi Calcium binding EGF domain containing protein 0.0243 0.3092 0.3092
Echinococcus multilocularis protein jagged 1 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Brugia malayi Animal haem peroxidase family protein 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Schistosoma mansoni laminin gamma-3 chain 0.0243 0.3092 0.3092
Brugia malayi Animal haem peroxidase family protein 0.0752 1 1
Brugia malayi EGF-like domain containing protein 0.0243 0.3092 0.3092
Echinococcus multilocularis neurogenic locus notch protein 0.0243 0.3092 0.3092
Toxoplasma gondii EGF family domain-containing protein 0.0243 0.3092 0.5
Onchocerca volvulus 0.0752 1 1
Echinococcus granulosus protein jagged 1 0.0243 0.3092 0.3092
Echinococcus granulosus notch 0.0243 0.3092 0.3092
Echinococcus granulosus fibropellin Ia 0.0243 0.3092 0.3092
Echinococcus multilocularis neurogenic locus notch protein 4 0.0243 0.3092 0.3092
Echinococcus granulosus protein jagged 2 0.0243 0.3092 0.3092
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0243 0.3092 0.3092
Schistosoma mansoni notch 0.0243 0.3092 0.3092
Onchocerca volvulus 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Brugia malayi GCC2 and GCC3 family protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Onchocerca volvulus Slit protein homolog 0.0243 0.3092 0.3092
Giardia lamblia High cysteine protein 0.0243 0.3092 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0752 1 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0243 0.3092 0.3092
Echinococcus multilocularis neural cadherin 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Brugia malayi EGF-like domain containing protein 0.0243 0.3092 0.3092
Schistosoma mansoni hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Schistosoma mansoni hypothetical protein 0.0243 0.3092 0.3092
Echinococcus granulosus neural cadherin 0.0243 0.3092 0.3092
Schistosoma mansoni cell polarity protein 0.0243 0.3092 0.3092
Echinococcus multilocularis slit 2 protein 0.0243 0.3092 0.3092
Brugia malayi EGF-like domain containing protein 0.0243 0.3092 0.3092
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0243 0.3092 0.3092
Echinococcus granulosus protein jagged 1 0.0243 0.3092 0.3092
Onchocerca volvulus Putative cubilin 0.0243 0.3092 0.3092
Schistosoma mansoni hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Brugia malayi Peroxidasin 0.0752 1 1
Onchocerca volvulus Dual oxidase homolog 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Echinococcus granulosus slit 2 protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Schistosoma mansoni hypothetical protein 0.0243 0.3092 0.3092
Echinococcus multilocularis fat cadherin tumor suppressor 0.0243 0.3092 0.3092
Brugia malayi Blistered cuticle protein 3 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Brugia malayi EGF-like domain containing protein 0.0243 0.3092 0.3092
Onchocerca volvulus 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Echinococcus granulosus neurogenic locus notch protein 0.0243 0.3092 0.3092
Echinococcus multilocularis peroxidasin 0.0752 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0243 0.3092 0.3092
Onchocerca volvulus Peroxidase homolog 0.0752 1 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0243 0.3092 0.3092
Brugia malayi EGF-like domain containing protein 0.0243 0.3092 0.3092
Echinococcus multilocularis protein jagged 2 0.0243 0.3092 0.3092
Schistosoma mansoni hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Brugia malayi Cadherin domain containing protein 0.0243 0.3092 0.3092
Schistosoma mansoni slit 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Brugia malayi Animal haem peroxidase family protein 0.0752 1 1
Schistosoma mansoni notch 0.0243 0.3092 0.3092
Echinococcus multilocularis neurogenic locus protein delta 0.0243 0.3092 0.3092
Schistosoma mansoni notch 0.0243 0.3092 0.3092
Loa Loa (eye worm) blistered cuticle protein 3 0.0752 1 1
Brugia malayi Muscle positioning protein 4 0.0243 0.3092 0.3092
Onchocerca volvulus Peroxidasin homolog 0.0752 1 1
Onchocerca volvulus 0.0243 0.3092 0.3092
Echinococcus multilocularis neurogenic locus notch protein 0.0243 0.3092 0.3092
Echinococcus multilocularis notch 0.0243 0.3092 0.3092
Echinococcus multilocularis protein jagged 1 0.0243 0.3092 0.3092
Brugia malayi EGF-like domain containing protein 0.0243 0.3092 0.3092
Schistosoma mansoni peroxidasin 0.0752 1 1
Onchocerca volvulus 0.0752 1 1
Brugia malayi notch-like transmembrane receptor 0.0243 0.3092 0.3092
Brugia malayi Animal haem peroxidase family protein 0.0752 1 1
Brugia malayi EGF-like domain containing protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Schistosoma mansoni hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Brugia malayi Cadherin domain containing protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) Notch2 0.0243 0.3092 0.3092
Brugia malayi Calcium binding EGF domain containing protein 0.0243 0.3092 0.3092
Loa Loa (eye worm) animal heme peroxidase 0.0752 1 1
Echinococcus granulosus peroxidasin 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3092 0.3092
Schistosoma mansoni peroxidasin 0.0752 1 1
Onchocerca volvulus Peroxidasin homolog 0.0752 1 1
Echinococcus multilocularis fibropellin Ia 0.0243 0.3092 0.3092
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0243 0.3092 0.3092
Schistosoma mansoni notch 0.0243 0.3092 0.3092
Brugia malayi Animal haem peroxidase family protein 0.0752 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0752 1 1
Onchocerca volvulus 0.0243 0.3092 0.3092
Schistosoma mansoni hypothetical protein 0.0243 0.3092 0.3092
Schistosoma mansoni septate junction protein 0.0243 0.3092 0.3092

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 nM Concentration required to inhibit the binding of radioligand [3H]-GR-65,630 to serotonin 5-hydroxytryptamine-3 receptor (5-HT 3 receptor)in rat brain cortical membrane ChEMBL. 12593651
IC50 (binding) > 1000 nM Inhibition of the binding of radioligand [3H]-spiperone to dopamine receptor D2 in rat brain synaptic membrane ChEMBL. 12593651

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

1 literature reference was collected for this gene.

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