Detailed information for compound 184374

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 219.627 | Formula: C10H6ClN3O
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nc(n1c2ccn1)O
  • InChi: 1S/C10H6ClN3O/c11-6-1-2-7-8(5-6)13-10(15)14-9(7)3-4-12-14/h1-5H,(H,13,15)
  • InChiKey: RNSBZGOLNKHYPB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate receptor ionotropic, AMPA Starlite/ChEMBL References
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
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
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 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
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 779 aa 33.4 %
Drosophila melanogaster Glutamate receptor IIB Glutamate receptor ionotropic, AMPA   907 aa 863 aa 27.8 %
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 receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 779 aa 33.4 %
Onchocerca volvulus Putative 39S ribosomal protein L45, mitochondrial Glutamate receptor ionotropic, AMPA   907 aa 799 aa 37.7 %
Schistosoma mansoni glutamate receptor kainate Glutamate receptor ionotropic, AMPA   907 aa 753 aa 33.2 %
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Glutamate receptor ionotropic, AMPA   907 aa 959 aa 30.9 %
Echinococcus granulosus glutamate receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 875 aa 30.4 %
Echinococcus multilocularis glutamate receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 868 aa 30.4 %
Echinococcus multilocularis glutamate (NMDA) receptor subunit Glutamate (NMDA) receptor subunit zeta 1   938 aa 822 aa 23.2 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 886 aa 34.2 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 888 aa 34.0 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 809 aa 34.1 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 809 aa 33.6 %
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 Glutamate receptor ionotropic, AMPA   907 aa 948 aa 30.6 %
Onchocerca volvulus Glutamate receptor ionotropic, AMPA   907 aa 796 aa 40.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 0.7273 0.6695
Echinococcus granulosus nmda type glutamate receptor 0.0106 0.4666 0.1439
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0052 0 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0136 0.7273 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0145 0.8068 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0136 0.7273 0.6695
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 0.7273 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0136 0.7273 0.5
Brugia malayi isocitrate dehydrogenase 0.0136 0.7273 0.5
Brugia malayi Isocitrate dehydrogenase 0.0136 0.7273 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0136 0.7273 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0052 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0136 0.7273 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0167 1 1
Chlamydia trachomatis glutamine binding protein 0.0052 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 0.7273 0.6695
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 0.7273 0.6695
Loa Loa (eye worm) isocitrate dehydrogenase 0.0136 0.7273 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0136 0.7273 0.6695
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0136 0.7273 0.5622
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 0.7273 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0052 0 0.5
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0052 0 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0106 0.4666 0.3536
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0136 0.7273 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 0.7273 0.5
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.377 0.245
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0136 0.7273 1
Toxoplasma gondii isocitrate dehydrogenase 0.0136 0.7273 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 10 uM Displacement of [3H]-AMPA from Ionotropic glutamate receptor AMPA. ChEMBL. 1382133
Ki (binding) > 10 uM Displacement of [3H]-glycine from glycine site on the NMDA receptor. ChEMBL. 1382133
Ki (binding) > 10 uM Displacement of [3H]-AMPA from Ionotropic glutamate receptor AMPA. ChEMBL. 1382133
Ki (binding) > 10 uM Displacement of [3H]-glycine from glycine site on the NMDA receptor. ChEMBL. 1382133

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.