Detailed information for compound 1966983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.409 | Formula: C19H25F3N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)cc(cc1C)C(F)(F)F)N[C@@H]1COCC[C@H]1N1CCCC1
  • InChi: 1S/C19H25F3N2O2/c1-12-9-14(19(20,21)22)10-13(2)17(12)18(25)23-15-11-26-8-5-16(15)24-6-3-4-7-24/h9-10,15-16H,3-8,11H2,1-2H3,(H,23,25)/t15-,16-/m1/s1
  • InChiKey: MADMGRSONIGUEX-HZPDHXFCSA-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
Bos taurus Sodium- and chloride-dependent glycine transporter 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni sodium/chloride dependent transporter 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
Brugia malayi Sodium:neurotransmitter symporter family protein 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
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative 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
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 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
Loa Loa (eye worm) hypothetical protein 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 multilocularis sodium and chloride dependent glycine 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 granulosus serotonin transporter Sodium- and chloride-dependent glycine transporter 1   638 aa 593 aa 39.5 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Sodium- and chloride-dependent glycine transporter 1   638 aa 575 aa 24.4 %
Neospora caninum sodium-dependent transporter, putative Sodium- and chloride-dependent glycine transporter 1   638 aa 512 aa 28.9 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Sodium- and chloride-dependent glycine transporter 1   638 aa 578 aa 41.7 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Sodium- and chloride-dependent glycine transporter 1   638 aa 662 aa 31.3 %
Onchocerca volvulus Transmembrane protein 120 homolog Sodium- and chloride-dependent glycine transporter 1   638 aa 599 aa 37.6 %
Echinococcus multilocularis serotonin transporter Sodium- and chloride-dependent glycine transporter 1   638 aa 587 aa 39.5 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Sodium- and chloride-dependent glycine transporter 1   638 aa 578 aa 35.3 %
Schistosoma mansoni norepinephrine/norepinephrine transporter Sodium- and chloride-dependent glycine transporter 1   638 aa 576 aa 37.7 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Sodium- and chloride-dependent glycine transporter 1   638 aa 585 aa 36.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni multidrug resistance protein 0.001 0.0072 0.003
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.1232 1
Echinococcus multilocularis serotonin transporter 0.0019 0.0378 0.0511
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.001 0.0072 0.0046
Echinococcus granulosus serotonin transporter 0.0019 0.0378 0.0511
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0096 0.3201 0.4802
Brugia malayi hypothetical protein 0.0019 0.0378 0.0511
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0019 0.0378 0.0511
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.1232 1
Onchocerca volvulus 0.0019 0.0378 0.032
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0059 0.1865 0.2771
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.045 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.001 0.0072 0.0581
Giardia lamblia DINP protein human, muc B family 0.0011 0.0082 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0011 0.0082 0.0669
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0268 0.0344
Loa Loa (eye worm) ShTK domain-containing protein 0.0059 0.1865 0.2771
Schistosoma mansoni sodium/chloride dependent transporter 0.0019 0.0378 0.0338
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0378 0.2638
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0378 0.0338
Brugia malayi MH2 domain containing protein 0.0138 0.477 0.7187
Plasmodium falciparum amino acid transporter, putative 0.0019 0.0378 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.0019 0.0378 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.001 0.0072 0.0344
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0378 0.0338
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0011 0.0082 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.001 0.0072 0.0344
Brugia malayi ABC transporter transmembrane region family protein 0.001 0.0072 0.0046
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.1232 0.181
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Giardia lamblia Multidrug resistance-associated protein 1 0.001 0.0072 0.2177
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0016 0.0268 0.1692
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0378 0.0511
Trypanosoma brucei glucosidase, putative 0.0042 0.1232 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.045 0.3489
Echinococcus granulosus multidrug resistance associated protein 1 0.001 0.0072 0.0046
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Onchocerca volvulus 0.0109 0.3701 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0019 0.0378 0.0511
Loa Loa (eye worm) hypothetical protein 0.0059 0.1865 0.2771
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Loa Loa (eye worm) hypothetical protein 0.0096 0.3201 0.4802
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Plasmodium vivax hypothetical protein, conserved 0.0019 0.0378 0.5
Loa Loa (eye worm) tyrosinase 1 0.0059 0.1865 0.2771
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0378 0.0338
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0378 0.0338
Loa Loa (eye worm) ShTK domain-containing protein 0.0059 0.1865 0.2771
Trypanosoma brucei multidrug resistance-associated protein, putative 0.001 0.0072 0.0581
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.3201 0.4802
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0329 0.2666
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0378 0.0338
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.1232 1
Schistosoma mansoni multidrug resistance protein 0.001 0.0072 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.1232 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0266 0.2161
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0378 0.0338
Brugia malayi polk-prov protein 0.0016 0.0266 0.0342
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.045 0.3489
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.045 0.1884
Toxoplasma gondii hypothetical protein 0.0019 0.0378 0.2638
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0268 0.1978
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.001 0.0072 0.0344
Schistosoma mansoni multidrug resistance protein 0.001 0.0072 0.003
Onchocerca volvulus 0.0059 0.1865 0.4651
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0019 0.0378 0.0511
Toxoplasma gondii hypothetical protein 0.0019 0.0378 0.2638
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.045 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0011 0.0082 0.0435
Trypanosoma brucei multidrug resistance protein E 0.001 0.0072 0.0581
Loa Loa (eye worm) serotonin transporter b 0.0019 0.0378 0.0511
Loa Loa (eye worm) hypothetical protein 0.0016 0.0268 0.0344
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.045 0.1884
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1232 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.1232 0.181
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1232 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.045 0.3649
Onchocerca volvulus 0.0019 0.0378 0.032
Onchocerca volvulus 0.0059 0.1865 0.4651
Leishmania major DNA polymerase kappa, putative 0.0011 0.0082 0.0435
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0378 0.0338
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0268 0.1978
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0266 0.2161
Trypanosoma cruzi multidrug resistance protein E, putative 0.001 0.0072 0.0344
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1232 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0019 0.0378 0.0511
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.3201 0.3173
Schistosoma mansoni alpha-glucosidase 0.0162 0.5657 0.5639
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0019 0.0378 0.0511
Echinococcus granulosus dna polymerase kappa 0.0021 0.045 0.0621
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.1232 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0378 0.2638
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Leishmania major p-glycoprotein e 0.001 0.0072 0.0344
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0046
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0268 0.1978
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0019 0.0378 0.0511
Trypanosoma brucei unspecified product 0.0017 0.0329 0.2666
Brugia malayi Glycosyl hydrolases family 31 protein 0.0189 0.6621 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Loa Loa (eye worm) hypothetical protein 0.0059 0.1865 0.2771
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.3201 0.4802
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.1232 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0096 0.3201 0.4802
Loa Loa (eye worm) hypothetical protein 0.0016 0.0266 0.0342
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.1232 0.181
Schistosoma mansoni tyrosinase precursor 0.0281 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.001 0.0072 0.0046
Loa Loa (eye worm) POT family protein 0.0079 0.2611 0.3905
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1232 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.3201 0.3173
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.001 0.0072 0.0344
Loa Loa (eye worm) hypothetical protein 0.001 0.0069 0.0041
Schistosoma mansoni alpha glucosidase 0.0042 0.1232 0.1196
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Loa Loa (eye worm) norepinephrine transporter 0.0019 0.0378 0.0511
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.045 0.3649
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1232 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.001 0.0072 0.0344
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0378 0.0511
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0059 0.1865 0.2771
Onchocerca volvulus 0.0019 0.0378 0.032
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0378 0.0338
Onchocerca volvulus 0.0059 0.1865 0.4651
Loa Loa (eye worm) solute carrier family 6 member 4 0.0019 0.0378 0.0511
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0378 0.0511
Plasmodium vivax amine transporter, putative 0.0019 0.0378 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.045 0.3489
Giardia lamblia MRP-like ABC transporter 0.001 0.0072 0.2177
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0378 0.2638
Loa Loa (eye worm) hypothetical protein 0.0096 0.3201 0.4802
Leishmania major pentamidine resistance protein 1 0.001 0.0072 0.0344
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0378 0.0338
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0019 0.0378 0.0511
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0019 0.0378 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.477 0.7187
Schistosoma mansoni sodium-dependent amino acid transporter 0.0019 0.0378 0.0338
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0046
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0189 0.6621 1
Schistosoma mansoni alpha-glucosidase 0.0162 0.5657 0.5639
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 0.6621 1
Echinococcus multilocularis dna polymerase kappa 0.0021 0.045 0.0621
Schistosoma mansoni multidrug resistance protein 0.001 0.0072 0.003
Brugia malayi POT family protein 0.0079 0.2611 0.3905
Brugia malayi ShTK domain containing protein 0.0059 0.1865 0.2771
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Echinococcus granulosus lysosomal alpha glucosidase 0.0189 0.6621 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.1232 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1232 1
Leishmania major ABC-thiol transporter 0.001 0.0072 0.0344
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0059 0.1865 0.2771
Brugia malayi multidrug resistance related protein 1 0.001 0.0072 0.0046
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.045 0.3649
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.1232 0.181
Onchocerca volvulus 0.0059 0.1865 0.4651
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 0.6621 1
Onchocerca volvulus 0.0019 0.0378 0.032
Giardia lamblia Multidrug resistance-associated protein 1 0.001 0.0072 0.2177
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.3201 0.4802
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0268 0.2174
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.477 0.7187
Brugia malayi Common central domain of tyrosinase family protein 0.0059 0.1865 0.2771
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0378 0.0511
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.045 0.3489
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.1232 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.3201 0.4802
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Echinococcus multilocularis multidrug resistance associated protein 1 0.001 0.0072 0.0046
Plasmodium falciparum transporter, putative 0.0019 0.0378 0.5
Echinococcus granulosus multidrug resistance associated protein 7 0.001 0.0072 0.0046
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0378 0.0511
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.001 0.0072 0.0344
Loa Loa (eye worm) hypothetical protein 0.0019 0.0378 0.0511
Giardia lamblia ABC transporter, putative 0.001 0.0072 0.2177
Trypanosoma brucei p-glycoprotein 0.001 0.0072 0.0581
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.1232 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0059 0.1865 0.2771

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 34.1 nM BindingDB_Patents: Uptake Inhibition Assay. Glycine uptake inhibition assay. ChEMBL. No reference
IC50 (binding) = 45.2 nM BindingDB_Patents: Uptake Inhibition Assay. Glycine uptake inhibition assay. ChEMBL. No reference

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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