Detailed information for compound 349424

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.56 | Formula: C26H33N3O
  • H donors: 1 H acceptors: 1 LogP: 5.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCN(C21CCN(CC2)[C@H]1CCCCC[C@H]1c1ccccc1)c1ccccc1
  • InChi: 1S/C26H33N3O/c30-25-26(29(20-27-25)22-12-6-2-7-13-22)16-18-28(19-17-26)24-15-9-3-8-14-23(24)21-10-4-1-5-11-21/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2,(H,27,30)/t23-,24-/m0/s1
  • InChiKey: AJYFBSDJLNTJGV-ZEQRLZLVSA-N  


Substructure search Similarity search

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 solute carrier family 6 (neurotransmitter transporter, glycine), member 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium-dependent proline transporter, putative Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis serotonin transporter solute carrier family 6 (neurotransmitter transporter, glycine), member 9 633 aa 616 aa 38.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0195 1 1
Brugia malayi nuclear receptor RXR 0.0103 0.1071 0.1071
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0195 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0195 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0096 0.0323 0.0323
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0323 0.0323
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0103 0.1071 0.1071
Brugia malayi nuclear receptor NHR-88 0.0195 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0195 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1071 0.1071
Onchocerca volvulus Protein ultraspiracle homolog 0.0195 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0195 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0195 1 1
Brugia malayi nuclear hormone receptor 0.0195 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0323 0.0323
Brugia malayi hypothetical protein 0.0103 0.1071 0.1071
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0103 0.1071 0.1071
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0323 0.0323
Onchocerca volvulus Bile acid receptor homolog 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0323 0.0323
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.1071 0.1071
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0195 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0195 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0103 0.1071 0.1071
Echinococcus multilocularis FTZ F1 alpha 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Schistosoma mansoni coup transcription factor 0.0195 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0195 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1071 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.1071 0.1071
Schistosoma mansoni retinoic acid receptor RXR 0.0195 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0195 1 1
Brugia malayi steroid hormone receptor 0.0195 1 1
Echinococcus granulosus FTZ F1 alpha 0.0195 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0195 1 1
Schistosoma mansoni thyroid hormone receptor 0.0195 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0103 0.1071 0.1071
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0195 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0195 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0195 1 1
Brugia malayi hypothetical protein 0.0103 0.1071 0.1071
Schistosoma mansoni nuclear hormone receptor 0.0195 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0195 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0195 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0323 0.0323
Schistosoma mansoni thyroid hormone receptor 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0195 1 1
Onchocerca volvulus 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0103 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0195 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0195 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1071 0.1071
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0096 0.0323 0.0323
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0195 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0323 0.0323
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0195 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0195 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0323 0.0323
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0195 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0195 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0103 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0323 0.0323
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0195 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.7 uM Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA ChEMBL. 16246557
EC50 (functional) = 1.7 uM Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA ChEMBL. 16246557

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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