Detailed information for compound 354817

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.486 | Formula: C25H25N3O
  • H donors: 2 H acceptors: 0 LogP: 5.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)N1CC(CNCCc2c[nH]c3c2cccc3)Oc2c1cccc2
  • InChi: 1S/C25H25N3O/c1-2-8-20(9-3-1)28-18-21(29-25-13-7-6-12-24(25)28)17-26-15-14-19-16-27-23-11-5-4-10-22(19)23/h1-13,16,21,26-27H,14-15,17-18H2
  • InChiKey: ASYOGWMUPAUVGI-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249

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
Onchocerca volvulus Chorion peroxidase homolog 0.0858 1 1
Echinococcus multilocularis peroxidasin 0.0858 1 1
Echinococcus multilocularis neural cadherin 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Echinococcus multilocularis neurogenic locus notch protein 0.0277 0.1797 0.1797
Schistosoma mansoni hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Brugia malayi Animal haem peroxidase family protein 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Schistosoma mansoni laminin gamma-3 chain 0.0277 0.1797 0.1797
Schistosoma mansoni septate junction protein 0.0277 0.1797 0.1797
Echinococcus multilocularis notch 0.0277 0.1797 0.1797
Echinococcus granulosus delta-like protein 1 0.0277 0.1797 0.1797
Schistosoma mansoni hypothetical protein 0.0277 0.1797 0.1797
Echinococcus multilocularis neurogenic locus protein delta 0.0277 0.1797 0.1797
Schistosoma mansoni hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Echinococcus multilocularis protein jagged 1 0.0277 0.1797 0.1797
Onchocerca volvulus 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0277 0.1797 0.1797
Schistosoma mansoni slit 0.0277 0.1797 0.1797
Brugia malayi Animal haem peroxidase family protein 0.0858 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Echinococcus granulosus peroxidasin 0.0858 1 1
Echinococcus multilocularis fibropellin Ia 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Echinococcus multilocularis protein jagged 2 0.0277 0.1797 0.1797
Loa Loa (eye worm) animal heme peroxidase 0.0858 1 1
Schistosoma mansoni hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Schistosoma mansoni hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Echinococcus granulosus neurogenic locus protein delta 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Echinococcus granulosus protein jagged 2 0.0277 0.1797 0.1797
Echinococcus granulosus neural cadherin 0.0277 0.1797 0.1797
Onchocerca volvulus Peroxidase homolog 0.0858 1 1
Schistosoma mansoni notch 0.0277 0.1797 0.1797
Echinococcus granulosus protein jagged 1 0.0277 0.1797 0.1797
Onchocerca volvulus 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Echinococcus multilocularis protein jagged 1 0.0277 0.1797 0.1797
Schistosoma mansoni hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Giardia lamblia High cysteine protein 0.0277 0.1797 0.5
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Schistosoma mansoni hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) Notch2 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) animal heme peroxidase 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Echinococcus multilocularis neurogenic locus notch protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Onchocerca volvulus 0.0858 1 1
Onchocerca volvulus Peroxidase homolog 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Onchocerca volvulus Peroxidasin homolog 0.0858 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0277 0.1797 0.5
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Schistosoma mansoni notch 0.0277 0.1797 0.1797
Brugia malayi Animal haem peroxidase family protein 0.0858 1 1
Schistosoma mansoni notch 0.0277 0.1797 0.1797
Loa Loa (eye worm) notch protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Schistosoma mansoni cell polarity protein 0.0277 0.1797 0.1797
Brugia malayi Blistered cuticle protein 3 0.0858 1 1
Echinococcus granulosus fibropellin Ia 0.0277 0.1797 0.1797
Echinococcus multilocularis neurogenic locus protein delta 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Schistosoma mansoni notch 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Brugia malayi Animal haem peroxidase family protein 0.0858 1 1
Schistosoma mansoni notch 0.0277 0.1797 0.1797
Echinococcus granulosus neurogenic locus notch protein 4 0.0277 0.1797 0.1797
Echinococcus granulosus protein jagged 2 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Onchocerca volvulus Dual oxidase homolog 0.0858 1 1
Schistosoma mansoni notch 0.0277 0.1797 0.1797
Brugia malayi Peroxidasin 0.0858 1 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Echinococcus granulosus neurogenic locus notch protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Echinococcus granulosus neurogenic locus notch protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0277 0.1797 0.1797
Loa Loa (eye worm) blistered cuticle protein 3 0.0858 1 1
Echinococcus granulosus protein jagged 1 0.0277 0.1797 0.1797
Echinococcus granulosus notch 0.0277 0.1797 0.1797
Schistosoma mansoni peroxidasin 0.0858 1 1
Echinococcus multilocularis slit 2 protein 0.0277 0.1797 0.1797
Schistosoma mansoni peroxidasin 0.0858 1 1
Onchocerca volvulus Peroxidasin homolog 0.0858 1 1
Echinococcus granulosus slit 2 protein 0.0277 0.1797 0.1797
Brugia malayi Animal haem peroxidase family protein 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.0858 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0858 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 23 % Inhibition of [3H]paroxetine binding to rat cortical 5-HT reuptake at 100 nM ChEMBL. 16332439
Inhibition (binding) = 23 % Inhibition of [3H]paroxetine binding to rat cortical 5-HT reuptake at 100 nM ChEMBL. 16332439
Ki (binding) = 30.21 nM Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells ChEMBL. 16332439
Ki (binding) = 30.21 nM Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells ChEMBL. 16332439

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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