Detailed information for compound 289197

Basic information

Technical information
  • TDR Targets ID: 289197
  • Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3- amine
  • MW: 225.289 | Formula: C14H15N3
  • H donors: 1 H acceptors: 1 LogP: 2.16 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cccnc1N1CCc2c(C1)cccc2
  • InChi: 1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2
  • InChiKey: PDWIXUPKLCRNMD-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinamine
  • [2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]amine
  • BBV-022152

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 1 References
Homo sapiens glutamate receptor, ionotropic, N-methyl-D-aspartate 3A Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, N-methyl-D-aspartate 3B References
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 2A 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
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 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 japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
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
Echinococcus granulosus glutamate NMDA receptor subunit Get druggable targets OG5_129290 All targets in OG5_129290
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
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_129290 All targets in OG5_129290
Echinococcus granulosus 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

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
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Echinococcus multilocularis protein jagged 2 0.0167 0.0981 0.0981
Schistosoma mansoni hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) animal heme peroxidase 0.0518 1 1
Echinococcus multilocularis neural cadherin 0.0167 0.0981 0.0981
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0138 0.0236 0.0236
Loa Loa (eye worm) animal heme peroxidase 0.0518 1 1
Brugia malayi Cadherin domain containing protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) Notch2 0.0167 0.0981 0.0981
Echinococcus multilocularis slit 2 protein 0.0167 0.0981 0.0981
Brugia malayi Muscle positioning protein 4 0.0167 0.0981 0.0981
Brugia malayi EGF-like domain containing protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0518 1 1
Brugia malayi Animal haem peroxidase family protein 0.0518 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0167 0.0981 0.0762
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0138 0.0236 0.0236
Schistosoma mansoni notch 0.0167 0.0981 0.0981
Loa Loa (eye worm) blistered cuticle protein 3 0.0518 1 1
Echinococcus granulosus protein jagged 1 0.0167 0.0981 0.0762
Schistosoma mansoni hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Onchocerca volvulus Dual oxidase homolog 0.0518 1 1
Brugia malayi EGF-like domain containing protein 0.0167 0.0981 0.0981
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0196 0.1714 0.1714
Echinococcus multilocularis protein jagged 1 0.0167 0.0981 0.0981
Brugia malayi Delta serrate ligand family protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Brugia malayi notch-like transmembrane receptor 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni notch 0.0167 0.0981 0.0981
Schistosoma mansoni notch 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Schistosoma mansoni peroxidasin 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni hypothetical protein 0.0167 0.0981 0.0981
Brugia malayi Blistered cuticle protein 3 0.0518 1 1
Brugia malayi EGF-like domain containing protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0167 0.0981 0.0981
Brugia malayi Calcium binding EGF domain containing protein 0.0167 0.0981 0.0981
Brugia malayi Cadherin domain containing protein 0.0167 0.0981 0.0981
Schistosoma mansoni hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0167 0.0981 0.0981
Echinococcus multilocularis neurogenic locus protein delta 0.0167 0.0981 0.0981
Echinococcus granulosus protein jagged 2 0.0167 0.0981 0.0762
Onchocerca volvulus Chorion peroxidase homolog 0.0518 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni glutamate receptor NMDA 0.0234 0.2686 0.2686
Echinococcus granulosus protein jagged 2 0.0167 0.0981 0.0762
Echinococcus multilocularis protein jagged 1 0.0167 0.0981 0.0981
Loa Loa (eye worm) notch protein 0.0167 0.0981 0.0981
Brugia malayi EGF-like domain containing protein 0.0167 0.0981 0.0981
Schistosoma mansoni notch 0.0167 0.0981 0.0981
Onchocerca volvulus 0.0518 1 1
Echinococcus granulosus peroxidasin 0.0518 1 1
Schistosoma mansoni laminin gamma-3 chain 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Brugia malayi Animal haem peroxidase family protein 0.0518 1 1
Brugia malayi Peroxidasin 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni septate junction protein 0.0167 0.0981 0.0981
Echinococcus multilocularis neurogenic locus protein delta 0.0167 0.0981 0.0981
Onchocerca volvulus Peroxidasin homolog 0.0518 1 1
Schistosoma mansoni peroxidasin 0.0518 1 1
Brugia malayi EGF-like domain containing protein 0.0167 0.0981 0.0981
Echinococcus granulosus neurogenic locus notch protein 4 0.0167 0.0981 0.0762
Brugia malayi EGF-like domain containing protein 0.0167 0.0981 0.0981
Brugia malayi Animal haem peroxidase family protein 0.0518 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0167 0.0981 0.0981
Echinococcus granulosus neurogenic locus protein delta 0.0167 0.0981 0.0762
Echinococcus multilocularis peroxidasin 0.0518 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Onchocerca volvulus Peroxidasin homolog 0.0518 1 1
Schistosoma mansoni notch 0.0167 0.0981 0.0981
Schistosoma mansoni glutamate receptor NMDA 0.0196 0.1714 0.1714
Schistosoma mansoni slit 0.0167 0.0981 0.0981
Echinococcus granulosus slit 2 protein 0.0167 0.0981 0.0762
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Brugia malayi Animal haem peroxidase family protein 0.0518 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0167 0.0981 0.0981
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0167 0.0981 0.0981
Toxoplasma gondii EGF family domain-containing protein 0.0167 0.0981 0.5
Echinococcus multilocularis fibropellin Ia 0.0167 0.0981 0.0981
Schistosoma mansoni hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0196 0.1714 0.1514
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni hypothetical protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni cell polarity protein 0.0167 0.0981 0.0981
Brugia malayi GCC2 and GCC3 family protein 0.0167 0.0981 0.0981
Echinococcus multilocularis notch 0.0167 0.0981 0.0981
Onchocerca volvulus 0.0518 1 1
Brugia malayi EGF-like domain containing protein 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni notch 0.0167 0.0981 0.0981
Onchocerca volvulus Peroxidase homolog 0.0518 1 1
Echinococcus granulosus neural cadherin 0.0167 0.0981 0.0762
Giardia lamblia High cysteine protein 0.0167 0.0981 0.5
Echinococcus granulosus protein jagged 1 0.0167 0.0981 0.0762
Echinococcus multilocularis fat cadherin tumor suppressor 0.0167 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Echinococcus multilocularis neurogenic locus notch protein 4 0.0167 0.0981 0.0981
Echinococcus multilocularis glutamate receptor 2 0.0138 0.0236 0.0236
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0138 0.0236 0.0236
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0138 0.0236 0.0236
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Onchocerca volvulus Peroxidase homolog 0.0518 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0143 0.0355 0.0122
Onchocerca volvulus 0.0518 1 1
Echinococcus granulosus notch 0.0167 0.0981 0.0762
Echinococcus granulosus delta-like protein 1 0.0167 0.0981 0.0762
Echinococcus granulosus fibropellin Ia 0.0167 0.0981 0.0762
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Echinococcus multilocularis nmda type glutamate receptor 0.0143 0.0355 0.0355
Echinococcus granulosus neurogenic locus notch protein 0.0167 0.0981 0.0762
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Brugia malayi Animal haem peroxidase family protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0981 0.0981
Schistosoma mansoni hypothetical protein 0.0167 0.0981 0.0981

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) = 380 nM Binding affinity against NMDA receptor by displacement of [3H]-Ro-25-6981 ChEMBL. 12617901
Ki (binding) = 380 nM Binding affinity against NMDA receptor by displacement of [3H]-Ro-25-6981 ChEMBL. 12617901
pKa = 5 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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