Detailed information for compound 146373

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.343 | Formula: C19H17NO3
  • H donors: 2 H acceptors: 2 LogP: 3.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/C=C\1/NC(=O)C(=C1O)c1cccc(c1)Oc1ccccc1
  • InChi: 1S/C19H17NO3/c1-2-7-16-18(21)17(19(22)20-16)13-8-6-11-15(12-13)23-14-9-4-3-5-10-14/h3-12,21H,2H2,1H3,(H,20,22)/b16-7+
  • InChiKey: SPAUIOLAMFNCDO-FRKPEAEDSA-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 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
Schistosoma japonicum expressed protein 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 multilocularis nmda type glutamate receptor 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
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 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 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 %
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0063 0.1531 0.0987
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0086 0.35 0.6239
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0086 0.35 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0101 0.4821 0.9083
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0086 0.35 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0046 0 0.5
Entamoeba histolytica hypothetical protein 0.0086 0.35 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0086 0.35 1
Echinococcus multilocularis nmda type glutamate receptor 0.0104 0.5165 0.4855
Loa Loa (eye worm) hypothetical protein 0.0085 0.3461 0.6155
Loa Loa (eye worm) hypothetical protein 0.0093 0.4157 0.7654
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.4353 0.399
Brugia malayi Protein kinase domain containing protein 0.0086 0.35 0.6239
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0101 0.4821 0.9083
Schistosoma mansoni hypothetical protein 0.0072 0.2301 0.2762
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.2301 0.3657
Loa Loa (eye worm) hypothetical protein 0.0105 0.5247 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.5247 1
Echinococcus granulosus nmda type glutamate receptor 0.0104 0.5165 0.4855
Schistosoma mansoni glutamate receptor NMDA 0.0122 0.675 1
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.4353 0.399
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0101 0.4821 0.6861
Loa Loa (eye worm) hypothetical protein 0.0093 0.4157 0.7654
Echinococcus granulosus dual specificity 0.0086 0.35 0.3083
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0063 0.1531 0.1998
Loa Loa (eye worm) hypothetical protein 0.0093 0.4157 0.7654
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.5247 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0064 0.1585 0.1045
Chlamydia trachomatis glutamine binding protein 0.0046 0 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0046 0 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0063 0.1531 0.151
Entamoeba histolytica protein kinase, putative 0.0086 0.35 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.4821 0.9083
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0046 0 0.5
Echinococcus multilocularis dual specificity 0.0086 0.35 0.3083
Loa Loa (eye worm) hypothetical protein 0.0085 0.3461 0.6155
Echinococcus multilocularis nmda type glutamate receptor 0.0159 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0063 0.1531 0.0987
Entamoeba histolytica protein kinase, putative 0.0086 0.35 1
Entamoeba histolytica protein kinase domain containing protein 0.0086 0.35 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0046 0 0.5
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0046 0 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0086 0.35 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0063 0.1531 0.1998
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.5247 1
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.35 0.4713
Loa Loa (eye worm) hypothetical protein 0.0072 0.2301 0.3657

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.7 uM Inhibition of binding affinity of [3H]-L-689,560 to the strychnine insensitive glycine site on rat brain membranes ChEMBL. No reference
IC50 (binding) = 0.7 uM Inhibition of binding affinity of [3H]-L-689,560 to the strychnine insensitive glycine site on rat brain membranes ChEMBL. No reference
Kb (functional) = 6.15 uM Inhibition of N-Methyl-D-aspartate (NMDA)-induced depolarizations in rat cortical slices 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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