Detailed information for compound 289196

Basic information

Technical information
  • TDR Targets ID: 289196
  • Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-2- amine
  • MW: 225.289 | Formula: C14H15N3
  • H donors: 1 H acceptors: 1 LogP: 2.49 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cccc(n1)N1CCc2c(C1)cccc2
  • InChi: 1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)
  • InChiKey: QDOWQPQWJXJCRA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinamine
  • [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, ionotropic, N-methyl-D-aspartate 3A Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus granulosus 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 multilocularis 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
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii EGF family domain-containing protein 0.0084 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Brugia malayi Animal haem peroxidase family protein 0.0261 1 1
Onchocerca volvulus Peroxidasin homolog 0.0261 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.0882 0.0882
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Echinococcus multilocularis peroxidasin 0.0261 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0261 1 1
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.0622 0.0622
Loa Loa (eye worm) blistered cuticle protein 3 0.0261 1 1
Echinococcus granulosus nmda type glutamate receptor 0.01 0.0882 0.0882
Schistosoma mansoni peroxidasin 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Onchocerca volvulus Peroxidase homolog 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Onchocerca volvulus 0.0261 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0261 1 1
Echinococcus granulosus peroxidasin 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0164 0.4543 0.4543
Loa Loa (eye worm) animal heme peroxidase 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0261 1 1
Brugia malayi Animal haem peroxidase family protein 0.0261 1 1
Brugia malayi Animal haem peroxidase family protein 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Brugia malayi Animal haem peroxidase family protein 0.0261 1 1
Onchocerca volvulus 0.0261 1 1
Brugia malayi Blistered cuticle protein 3 0.0261 1 1
Onchocerca volvulus Peroxidasin homolog 0.0261 1 1
Schistosoma mansoni peroxidasin 0.0261 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.0119 0.1977 0.1977
Giardia lamblia High cysteine protein 0.0084 0 0.5
Onchocerca volvulus Dual oxidase homolog 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.0622 0.0622
Onchocerca volvulus Peroxidase homolog 0.0261 1 1
Brugia malayi Peroxidasin 0.0261 1 1
Brugia malayi Animal haem peroxidase family protein 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Onchocerca volvulus 0.0261 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0119 0.1977 0.1977

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) nM Displacement of [3H]-prazosin from alpha-1 adrenergic receptor ChEMBL. 12617901
Ki (binding) nM Displacement of [3H]-pirenzepine M1 receptor ChEMBL. 12617901
Ki (binding) 0 nM Displacement of [3H]-prazosin from alpha-1 adrenergic receptor ChEMBL. 12617901
Ki (binding) 0 nM Displacement of [3H]-pirenzepine M1 receptor ChEMBL. 12617901
Ki (binding) = 190 nM Binding affinity against NMDA receptor by displacement of [3H]-Ro-25-6981 ChEMBL. 12617901
Ki (binding) = 190 nM Binding affinity against NMDA receptor by displacement of [3H]-Ro-25-6981 ChEMBL. 12617901
pKa = 6 Dissociation constant (pKa) ChEMBL. 12617901

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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