Detailed information for compound 1635265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.404 | Formula: C19H22N4O
  • H donors: 2 H acceptors: 2 LogP: 2.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)Cc1c(O)ccc2c1nc([nH]2)c1ccccc1
  • InChi: 1S/C19H22N4O/c1-22-9-11-23(12-10-22)13-15-17(24)8-7-16-18(15)21-19(20-16)14-5-3-2-4-6-14/h2-8,24H,9-13H2,1H3,(H,20,21)
  • InChiKey: YFPIEHCERJZNFC-UHFFFAOYSA-N  

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 glutamate receptor, ionotropic, N-methyl D-aspartate 2B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus glutamate NMDA receptor subunit Get druggable targets OG5_129290 All targets in OG5_129290
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_129290 All targets in OG5_129290
Echinococcus multilocularis glutamate (NMDA) receptor subunit Get druggable targets OG5_129290 All targets in OG5_129290
Schistosoma japonicum ko:K05314 glutamate receptor, ionotropic, N-methyl-D-aspartate 2, invertebrate, putative Get druggable targets OG5_129290 All targets in OG5_129290

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0089 0.9757 0.9741
Schistosoma mansoni glutamate receptor NMDA 0.0091 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.1263 0.1263
Echinococcus granulosus lysosomal protective protein 0.0089 0.9757 0.9757
Echinococcus multilocularis lysosomal protective protein 0.0089 0.9757 0.9757
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.1263 0.1263
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0089 0.9757 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.1263 0.1263
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0089 0.9757 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0089 0.9757 0.9741
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0089 0.9757 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0089 0.9757 0.5
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.008 0.8516 0.8516
Echinococcus granulosus glutamate receptor 2 0.0029 0.1263 0.1263
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0089 0.9757 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.9757 1
Schistosoma mansoni glutamate receptor NMDA 0.0029 0.1263 0.069
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0089 0.9757 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0089 0.9757 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0089 0.9757 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.1263 0.1263
Echinococcus multilocularis glutamate receptor 2 0.0029 0.1263 0.1263
Echinococcus granulosus family S10 non peptidase ue S10 family 0.008 0.8516 0.8516
Echinococcus multilocularis glutamate receptor 2 0.0024 0.0615 0.0615
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0089 0.9757 0.5
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0091 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0089 0.9757 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.1263 0.1263
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0029 0.1263 0.1263
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0029 0.1263 0.1263
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.1263 0.1263

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 4.3 Antagonist activity at human NR1-NR2A receptor by FLIPR-based Ca2+ flux assay ChEMBL. 22366657
IC50 (binding) = 6.4 Displacement of [3H]-Ro256981 from human NR2B receptor ChEMBL. 22366657

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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