Detailed information for compound 1491988

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.46 | Formula: C24H23N3
  • H donors: 0 H acceptors: 2 LogP: 6.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1ccccc1n1c(C)nnc1c1ccc(cc1)c1ccccc1
  • InChi: 1S/C24H23N3/c1-3-9-21-12-7-8-13-23(21)27-18(2)25-26-24(27)22-16-14-20(15-17-22)19-10-5-4-6-11-19/h4-8,10-17H,3,9H2,1-2H3
  • InChiKey: VWOYBCVFPLKBOQ-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
Rattus norvegicus Glycine transporter 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Brugia malayi Sodium:neurotransmitter symporter family protein 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) 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
Echinococcus granulosus sodium and chloride dependent glycine 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
Echinococcus multilocularis sodium and chloride dependent glycine 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 multilocularis 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
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative 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
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Glycine transporter 1   638 aa 585 aa 35.9 %
Onchocerca volvulus Transmembrane protein 120 homolog Glycine transporter 1   638 aa 652 aa 36.0 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Glycine transporter 1   638 aa 579 aa 36.1 %
Echinococcus granulosus serotonin transporter Glycine transporter 1   638 aa 617 aa 37.9 %
Echinococcus multilocularis serotonin transporter Glycine transporter 1   638 aa 617 aa 38.2 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Glycine transporter 1   638 aa 578 aa 41.5 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Glycine transporter 1   638 aa 622 aa 32.2 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Glycine transporter 1   638 aa 585 aa 23.6 %
Schistosoma mansoni norepinephrine/norepinephrine transporter Glycine transporter 1   638 aa 572 aa 37.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0022 0.0022
Plasmodium falciparum transporter, putative 0.0019 0.0022 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0 0.0003
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0022 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0242 0.0926
Loa Loa (eye worm) hypothetical protein 0.0096 0.0576 0.2208
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0096 0.0576 0.2208
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0 0.0003
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0576 0.0576
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0019 0.0022 0.0085
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.013 0.0497
Brugia malayi NADH dehydrogenase subunit 1 0.0378 0.261 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0576 0.2208
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0378 0.261 0.261
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085
Brugia malayi Isocitrate dehydrogenase 0.0016 0 0.0001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0003
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.1403 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085
Treponema pallidum sodium- and chloride- dependent transporter 0.0019 0.0022 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0019 0.0022 0.0022
Toxoplasma gondii hypothetical protein 0.0019 0.0022 1
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.1403 1 1
Echinococcus multilocularis serotonin transporter 0.0019 0.0022 0.0383
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0034 0.013 0.0497
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0242 0.0926
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0378 0.261 0.261
Brugia malayi hypothetical protein 0.0378 0.261 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0576 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0022 0.0085
Loa Loa (eye worm) norepinephrine transporter 0.0019 0.0022 0.0085
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0022 0.0022
Onchocerca volvulus 0.0378 0.261 1
Plasmodium vivax amine transporter, putative 0.0019 0.0022 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0022 0.0085
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0022 0.0022
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0022 0.0085
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0735 0.2814
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0022 0.0022
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0022 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0022 0.0022
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0242 0.0926
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0003
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0022 0.0022
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085
Plasmodium vivax hypothetical protein, conserved 0.0019 0.0022 1
Brugia malayi isocitrate dehydrogenase 0.0016 0 0.0001
Loa Loa (eye worm) solute carrier family 6 member 4 0.0019 0.0022 0.0085
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0735 0.2814
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0576 0.0576
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0 0.5
Schistosoma mansoni sodium-dependent amino acid transporter 0.0019 0.0022 0.0022
Plasmodium falciparum amino acid transporter, putative 0.0019 0.0022 1
Loa Loa (eye worm) serotonin transporter b 0.0019 0.0022 0.0085
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0096 0.0576 0.2208
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0022 0.0022
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0378 0.261 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0019 0.0022 0.0383
Echinococcus granulosus serotonin transporter 0.0019 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0049 0.0242 0.0926
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0576 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0022 1
Schistosoma mansoni hypothetical protein 0.1403 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0576 0.0576
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0019 0.0022 0.0085
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0378 0.261 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0019 0.0022 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0022 0.0022
Onchocerca volvulus 0.0378 0.261 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0019 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0034 0.013 0.013
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.1403 1 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0019 0.0022 0.0383
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0022 0.0022
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0576 0.0576
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0019 0.0022 0.0022
Toxoplasma gondii hypothetical protein 0.0019 0.0022 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0003
Brugia malayi hypothetical protein 0.0019 0.0022 0.0085
Brugia malayi MH2 domain containing protein 0.0117 0.0735 0.2814
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0019 0.0022 0.0383
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0085

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells ChEMBL. 21141920
IC50 (binding) = 3.8 uM Inhibition of [3H]glycine uptake at GlyT1 in rat C6 cells ChEMBL. 21141920

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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