Detailed information for compound 2151883

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.19 | Formula: C23H23N5O
  • H donors: 0 H acceptors: 3 LogP: 4.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 0
  • SMILES: COc1ccccc1C1CCN(CC1)c1ncnc2c1cnn2c1ccccc1
  • InChi: InChI=1S/C23H23N5O/c1-29-21-10-6-5-9-19(21)17-11-13-27(14-12-17)22-20-15-26-28(23(20)25-16-24-22)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3
  • InChiKey: GASWIWINIINKDW-UHFFFAOYSA-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 2 (facilitated glucose transporter), member 2 References
Homo sapiens solute carrier family 2 (facilitated glucose transporter), member 1 References
Homo sapiens solute carrier family 2 (facilitated glucose transporter), member 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Toxoplasma gondii facilitative glucose transporter GT1 Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 4, putative Get druggable targets OG5_127135 All targets in OG5_127135
Neospora caninum Glucose transporter 1A, related Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium knowlesi hexose transporter, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans almost identical to C terminus of CaP19.2425 Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 3, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans C terminus is almost identical to CaP19.2865 Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum IPR005828,General substrate transporter,domain-containing Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum ko:K07299 MFS transporter, SP family, solute carrier family 2 (facilitated, putative Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans almost identical to C terminus of CaP19.2425 Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum ko:K07191 MFS transporter, SP family, solute carrier family 2 (facilitated, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans C terminus is almost identical to CaP19.2865 Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium falciparum hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis General substrate transporter Get druggable targets OG5_127135 All targets in OG5_127135
Loa Loa (eye worm) sugar transporter Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 1, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis solute carrier family 2, facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium yoelii putative sugar transporter Get druggable targets OG5_127135 All targets in OG5_127135
Brugia malayi Sugar transporter family protein Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus General substrate transporter Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium berghei hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei THT1 - hexose transporter, putative solute carrier family 2 (facilitated glucose transporter), member 3 496 aa 442 aa 23.5 %
Trypanosoma brucei glucose transporter, putative solute carrier family 2 (facilitated glucose transporter), member 1 492 aa 395 aa 23.5 %
Trypanosoma brucei glucose transporter, putative solute carrier family 2 (facilitated glucose transporter), member 2 524 aa 420 aa 22.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Plasmodium vivax hexose transporter 0.0126 1 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 1 1
Schistosoma mansoni glucose transport protein 0.0126 1 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Schistosoma mansoni glucose transport protein 0.0126 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0126 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0126 1 0.5
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0126 1 1
Schistosoma mansoni glucose transport protein 0.0126 1 0.5
Schistosoma mansoni hypothetical protein 0.0126 1 0.5
Plasmodium falciparum hexose transporter 0.0126 1 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 1 1
Loa Loa (eye worm) sugar transporter 0.0126 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.9 uM Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-incubated with 100 mM glucose for 16 hrs by CellTiter-Glo assay in presence of oxidative phosphorylation inhibitor rotenone ChEMBL. 26949183
IC50 (binding) > 10 uM Inhibition of human GLUT2 expressed in CHO cells assessed as ATP production co-incubated with 30 mM fructose for 16 hrs by CellTiter-Glo assay in presence of oxidative phosphorylation inhibitor rotenone ChEMBL. 26949183
IC50 (binding) > 10 uM Inhibition of human GLUT3 expressed in GLUT1 knock-out DLD1 cells assessed as ATP production co-incubated with 300 mM glucose for 16 hrs by CellTiter-Glo assay in presence of oxidative phosphorylation inhibitor rotenone ChEMBL. 26949183

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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