Detailed information for compound 105517

Basic information

Technical information
  • TDR Targets ID: 105517
  • Name: 2-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydr o-1H-quinolin-4-one
  • MW: 255.312 | Formula: C16H17NO2
  • H donors: 2 H acceptors: 3 LogP: 3.77 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCc2c(C1)nc(c(c2O)c1ccccc1)O
  • InChi: 1S/C16H17NO2/c1-10-7-8-12-13(9-10)17-16(19)14(15(12)18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,17,18,19)
  • InChiKey: VPWTZJBXKSFWRP-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
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 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 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
Schistosoma mansoni glutamate receptor NMDA 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 multilocularis glutamate receptor NMDA 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
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein 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 Glutamate receptor IA Glutamate (NMDA) receptor subunit zeta 1   938 aa 979 aa 23.7 %
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %
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
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0062 0.1742 0.1742
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Onchocerca volvulus Alicorn homolog 0.0054 0.1373 0.5
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0062 0.1742 1
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.013 0.4942 0.4942
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.3317 0.3317
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0062 0.1742 0.1742
Schistosoma mansoni serine/threonine protein kinase 0.013 0.4942 0.4942
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.3317 0.3317
Schistosoma mansoni protein kinase subunit beta 0.0033 0.0391 0.0391
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0109 0.3956 0.3956
Schistosoma mansoni protein kinase subunit beta 0.0062 0.1742 0.1742
Echinococcus multilocularis nmda type glutamate receptor 0.0127 0.4824 0.4824
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0033 0.0391 0.0391
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0033 0.0391 0.0391
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0237 1 1
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0222 0.9309 0.9309
Entamoeba histolytica serine/threonine protein kinase, putative 0.0025 0 0.5
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.013 0.4942 0.4942
Loa Loa (eye worm) loechrig isoform VII 0.0237 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0127 0.4824 0.4824
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.013 0.4942 0.4942
Echinococcus granulosus nmda type glutamate receptor 0.01 0.3534 0.3534
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Leishmania major hypothetical protein, conserved 0.0062 0.1742 1
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.3534 0.3534
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0237 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0062 0.1742 0.1742
Plasmodium falciparum serine/threonine protein kinase KIN 0.0025 0 0.5
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0062 0.1742 1
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative 0.013 0.4942 0.4942
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.0036 0.0547 1
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0025 0 0.5
Schistosoma mansoni protein kinase subunit gamma 0.0237 1 1
Echinococcus multilocularis AMPK beta subunit 0.0062 0.1742 0.1742
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0062 0.1742 0.1742
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0062 0.1742 1
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0237 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.0333 0.0333
Echinococcus granulosus AMPK beta subunit 0.0062 0.1742 0.1742
Trichomonas vaginalis CAMK family protein kinase 0.0025 0 0.5

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 20 mg/kg; number protected / number tested is 8/8 ChEMBL. No 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 1/8 ChEMBL. No reference
ED50 (functional) 0 mg kg-1 Effective dose required to protect against audiogenic seizure in DBA/2 mice at 20 mg/kg; number protected / number tested is 8/8 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 1/8 ChEMBL. No reference
IC50 (binding) = 3.5 uM Compound was evaluated for its ability to displace [3H]-L-689,560 from rat cortical membrane ChEMBL. No reference
IC50 (binding) = 3.5 uM Compound was evaluated for its ability to displace [3H]-L-689,560 from rat cortical membrane ChEMBL. No reference
Kb (functional) = 3.7 Ability of compound to antagonize NMDA induced responses in rat cortical slice ChEMBL. No reference
Kb (functional) = 3.7 Ability of compound to antagonize NMDA induced responses in rat cortical slice 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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