Detailed information for compound 104117

Basic information

Technical information
  • TDR Targets ID: 104117
  • Name: 2-hydroxy-7-methyl-3-(3-phenoxyphenyl)-1H-qui nolin-4-one
  • MW: 343.375 | Formula: C22H17NO3
  • H donors: 2 H acceptors: 3 LogP: 5.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)nc(c(c2O)c1cccc(c1)Oc1ccccc1)O
  • InChi: 1S/C22H17NO3/c1-14-10-11-18-19(12-14)23-22(25)20(21(18)24)15-6-5-9-17(13-15)26-16-7-3-2-4-8-16/h2-13H,1H3,(H2,23,24,25)
  • InChiKey: LMUHKXPKGLPHSH-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-hydroxy-7-methyl-3-(3-phenoxyphenyl)-4-quinolone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %
Drosophila melanogaster Glutamate receptor IA Glutamate (NMDA) receptor subunit zeta 1   938 aa 979 aa 23.7 %
Echinococcus multilocularis glutamate (NMDA) receptor subunit Glutamate (NMDA) receptor subunit zeta 1   938 aa 822 aa 23.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii transporter, cation channel family protein 0.0046 0.1512 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0046 0.1512 0.1512
Schistosoma mansoni transient receptor potential channel 0.0046 0.1512 0.0000038243
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0046 0.1512 0.5
Echinococcus multilocularis calcium activated potassium channel 0.0046 0.1512 0.1512
Echinococcus granulosus transient receptor potential cation channel 0.0046 0.1512 0.0000029543
Echinococcus multilocularis hyperpolarization activated cyclic 0.0046 0.1512 0.1512
Schistosoma mansoni transient receptor potential channel 0.0046 0.1512 0.0000038243
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0046 0.1512 0.1512
Echinococcus multilocularis hyperpolarization activated cyclic 0.0046 0.1512 0.1512
Loa Loa (eye worm) hypothetical protein 0.0046 0.1512 1
Echinococcus multilocularis transient receptor potential cation channel 0.0046 0.1512 0.1512
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.6645 0.6047
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0046 0.1512 0.5
Echinococcus multilocularis two pore calcium channel protein 2 0.0046 0.1512 0.1512
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0046 0.1512 0.5
Echinococcus multilocularis ryanodine receptor 44f 0.0046 0.1512 0.1512
Schistosoma mansoni glutamate receptor NMDA 0.0109 0.8069 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0046 0.1512 0.1512
Echinococcus multilocularis sodium leak channel non selective protein 0.0046 0.1512 0.1512
Loa Loa (eye worm) hypothetical protein 0.0046 0.1512 1
Echinococcus multilocularis nmda type glutamate receptor 0.0127 1 1
Leishmania major hypothetical protein, unknown function 0.0046 0.1512 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0046 0.1512 0.1512
Echinococcus multilocularis transient receptor potential cation channel 0.0046 0.1512 0.1512
Echinococcus multilocularis short transient receptor potential channel 6 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0046 0.1512 0.1512
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0046 0.1512 0.1512
Echinococcus multilocularis transient receptor potential cation channel 0.0046 0.1512 0.1512
Leishmania major hypothetical protein, conserved 0.0046 0.1512 0.5
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0046 0.1512 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0046 0.1512 0.5
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0046 0.1512 0.1512
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.6645 0.6645
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.7127 0.7127
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0046 0.1512 0.1512
Echinococcus granulosus nmda type glutamate receptor 0.01 0.7127 0.6616
Echinococcus granulosus transient receptor potential cation channel 0.0046 0.1512 0.0000029543
Echinococcus multilocularis voltage gated potassium channel 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium large conductance calcium activated 0.0046 0.1512 0.1512
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0046 0.1512 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0046 0.1512 0.5
Echinococcus multilocularis shaker cognate 0.0046 0.1512 0.1512
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0046 0.1512 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0046 0.1512 0.1512
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0046 0.1512 0.1512
Echinococcus multilocularis voltage dependent calcium channel 0.0046 0.1512 0.1512
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0046 0.1512 0.5
Toxoplasma gondii hypothetical protein 0.0046 0.1512 0.5
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0046 0.1512 0.5
Echinococcus multilocularis potassium voltage gated channel protein 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0046 0.1512 0.1512
Echinococcus multilocularis voltage gated potassium channel 0.0046 0.1512 0.1512
Echinococcus multilocularis voltage dependent calcium channel 0.0046 0.1512 0.1512
Echinococcus multilocularis transient receptor potential cation channel 0.0046 0.1512 0.1512
Echinococcus multilocularis conserved hypothetical protein 0.0046 0.1512 0.1512
Echinococcus multilocularis two pore calcium channel protein 1 0.0046 0.1512 0.1512
Echinococcus multilocularis transient receptor potential cation channel 0.0046 0.1512 0.1512
Brugia malayi olfactory channel protein osm-9 0.0046 0.1512 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0046 0.1512 0.1512
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0046 0.1512 0.1512
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0046 0.1512 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0046 0.1512 0.1512
Onchocerca volvulus 0.0046 0.1512 0.5
Toxoplasma gondii hypothetical protein 0.0046 0.1512 0.5
Echinococcus multilocularis transient receptor potential gamma protein 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0046 0.1512 0.1512
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0046 0.1512 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0046 0.1512 0.5
Echinococcus multilocularis transfer RNA-Gly 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0046 0.1512 0.1512
Echinococcus multilocularis potassium voltage gated channel protein 0.0046 0.1512 0.1512
Echinococcus granulosus transient receptor potential cation channel 0.0046 0.1512 0.0000029543
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0046 0.1512 0.1512
Loa Loa (eye worm) hypothetical protein 0.0046 0.1512 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0046 0.1512 0.1512
Echinococcus multilocularis sodium channel protein 0.0046 0.1512 0.1512

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) mg kg-1 Effective dose required to protect against audiogenic seizure in DBA/2 mice at 10 mg/kg; number protected / number tested is 4/8 ChEMBL. No reference
ED50 (functional) 0 mg kg-1 Effective dose required to protect against audiogenic seizure in DBA/2 mice at 10 mg/kg; number protected / number tested is 4/8 ChEMBL. No reference
IC50 (binding) = 0.02 uM Compound was evaluated for its ability to displace [3H]-L-689,560 from rat cortical membrane ChEMBL. No reference
IC50 (binding) = 0.02 uM Compound was evaluated for its ability to displace [3H]-L-689,560 from rat cortical membrane 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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