Detailed information for compound 500555

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 214.306 | Formula: C14H18N2
  • H donors: 1 H acceptors: 0 LogP: 2.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C[C@H]1C[C@@H]1c1c[nH]c2c1cccc2)C
  • InChi: 1S/C14H18N2/c1-16(2)9-10-7-12(10)13-8-15-14-6-4-3-5-11(13)14/h3-6,8,10,12,15H,7,9H2,1-2H3/t10-,12+/m1/s1
  • InChiKey: XHFDRKMTZJYJBK-PWSUYJOCSA-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 solute carrier family 6 (neurotransmitter transporter), member 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0012 0.0346 0.0346
Onchocerca volvulus 0.0012 0.0346 0.068
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.2549 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0346 0.0346
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0012 0.0346 0.0346
Schistosoma mansoni sodium-dependent amino acid transporter 0.0012 0.0346 0.0346
Onchocerca volvulus 0.0012 0.0346 0.068
Brugia malayi hypothetical protein 0.0012 0.0346 0.0346
Onchocerca volvulus 0.0078 0.5088 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.2549 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.2291 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0346 0.0346
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0012 0.0346 0.0346
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.2549 0.2627
Loa Loa (eye worm) hypothetical protein 0.0012 0.0346 0.0346
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.2291 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0012 0.0346 0.0346
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.2291 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.475 0.475
Schistosoma mansoni sodium/chloride dependent transporter 0.0073 0.475 0.475
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0012 0.0346 0.0346
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0012 0.0346 0.0346
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0346 0.0346
Loa Loa (eye worm) norepinephrine transporter 0.0073 0.475 0.475
Echinococcus multilocularis sodium and chloride dependent glycine 0.0012 0.0346 0.0346
Brugia malayi bZIP transcription factor family protein 0.0099 0.6631 0.6631
Onchocerca volvulus 0.0073 0.475 0.9337
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.0073 0.475 0.475
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.2549 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0346 0.0346
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 1 1
Echinococcus multilocularis serotonin transporter 0.0073 0.475 0.475
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0012 0.0346 0.0357
Schistosoma mansoni sodium/chloride dependent transporter 0.0012 0.0346 0.0346
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0012 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.0073 0.475 0.475
Loa Loa (eye worm) hypothetical protein 0.0096 0.6434 0.6434
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0012 0.0346 0.0346
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0099 0.6631 0.6631
Schistosoma mansoni jun-related protein 0.008 0.5285 0.5285
Loa Loa (eye worm) serotonin transporter b 0.0073 0.475 0.475
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0346 0.0346
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.2549 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0012 0.0346 0.0357
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0073 0.475 0.475
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.9704 1
Onchocerca volvulus 0.0012 0.0346 0.068
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0346 0.0346
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0012 0.0346 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0346 0.0346
Echinococcus granulosus jun protein 0.0099 0.6631 0.6833
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0346 0.0346
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0012 0.0346 0.0346
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0073 0.475 0.475
Schistosoma mansoni sodium/chloride dependent transporter 0.0012 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.0012 0.0346 0.0346
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0346 0.0346
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.2549 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0012 0.0346 0.0357
Brugia malayi hypothetical protein 0.0078 0.5088 0.5088
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0012 0.0346 0.0357
Loa Loa (eye worm) hypothetical protein 0.0012 0.0346 0.0346
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.0012 0.0346 0.0346
Schistosoma mansoni hypothetical protein 0.008 0.5285 0.5285
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0346 0.0346
Loa Loa (eye worm) acetyltransferase 0.0145 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0099 0.6631 0.6833
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0012 0.0346 0.0357
Loa Loa (eye worm) solute carrier family 6 member 4 0.0073 0.475 0.475
Treponema pallidum sodium- and chloride- dependent transporter 0.0073 0.475 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0012 0.0346 0.0357
Echinococcus multilocularis jun protein 0.0099 0.6631 0.6631
Echinococcus granulosus serotonin transporter 0.0073 0.475 0.4895

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 99 nM Inhibition of human SERT ChEMBL. 17766113
IC50 (binding) = 99 nM Inhibition of human SERT ChEMBL. 17766113

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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