Detailed information for compound 59578

Basic information

Technical information
  • TDR Targets ID: 59578
  • Name: 6-[4-(2-dimethylaminoethyloxy)-5,6,7,8-tetrah ydronaphthalen-1-yl]pyridin-2-amine
  • MW: 311.421 | Formula: C19H25N3O
  • H donors: 1 H acceptors: 1 LogP: 3.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCOc1ccc(c2c1CCCC2)c1cccc(n1)N)C
  • InChi: 1S/C19H25N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h5,8-11H,3-4,6-7,12-13H2,1-2H3,(H2,20,21)
  • InChiKey: CNRQNFFMXHNVBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[8-(2-dimethylaminoethyloxy)tetralin-5-yl]pyridin-2-amine
  • 6-[8-(2-dimethylaminoethyloxy)-5-tetralinyl]-2-pyridinamine
  • 2-[8-(6-amino-2-pyridyl)tetralin-5-yl]oxyethyl-dimethyl-amine
  • 6-[4-(2-dimethylaminoethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine
  • 6-[8-(2-dimethylaminoethoxy)tetralin-5-yl]pyridin-2-amine
  • 6-[8-(2-dimethylaminoethoxy)-5-tetralinyl]-2-pyridinamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Nitric-oxide synthase, brain Starlite/ChEMBL References
Homo sapiens nitric oxide synthase 3 (endothelial cell) Starlite/ChEMBL References
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL References
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 eyes absent homolog 0.0087 0.634 0.577
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0118 1 1
Plasmodium vivax flavodoxin domain containing protein 0.0105 0.8404 0.8404
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.634 0.634
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0045 0.133 0.133
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0118 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0045 0.133 0.5
Leishmania major cytochrome P450 reductase, putative 0.0105 0.8404 0.8404
Brugia malayi flavodoxin family protein 0.0045 0.133 0.133
Leishmania major p450 reductase, putative 0.0118 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0073 0.4629 0.4629
Schistosoma mansoni cytochrome P450 reductase 0.0118 1 1
Schistosoma mansoni diflavin oxidoreductase 0.0059 0.2926 0.1824
Entamoeba histolytica type A flavoprotein, putative 0.0045 0.133 0.5
Loa Loa (eye worm) hypothetical protein 0.0118 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1347 0.1347
Giardia lamblia Nitric oxide synthase, inducible 0.0105 0.8404 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0118 1 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1347 0.1347
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0118 1 1
Leishmania major hypothetical protein, conserved 0.0045 0.133 0.133
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1347 0.1347
Echinococcus granulosus methionine synthase reductase 0.0073 0.4629 0.4629
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0045 0.133 0.133
Loa Loa (eye worm) hypothetical protein 0.0087 0.634 0.634
Giardia lamblia Hypothetical protein 0.0105 0.8404 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1347 0.1347
Entamoeba histolytica type A flavoprotein, putative 0.0045 0.133 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0118 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0059 0.2926 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0118 1 1
Plasmodium vivax hypothetical protein, conserved 0.0045 0.133 0.133
Brugia malayi hypothetical protein 0.0087 0.634 0.634
Trichomonas vaginalis sulfite reductase, putative 0.0118 1 1
Treponema pallidum flavodoxin 0.0045 0.133 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0059 0.2926 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0045 0.133 0.133
Loa Loa (eye worm) flavodoxin family protein 0.0045 0.133 0.133
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0118 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1347 0.1347
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0118 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0118 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0118 1 1
Chlamydia trachomatis sulfite reductase 0.0073 0.4629 0.5
Brugia malayi FAD binding domain containing protein 0.0073 0.4629 0.4629
Schistosoma mansoni NADPH flavin oxidoreductase 0.006 0.3033 0.1948
Loa Loa (eye worm) FAD binding domain-containing protein 0.0118 1 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0045 0.133 0.133
Entamoeba histolytica type A flavoprotein, putative 0.0045 0.133 0.5
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0045 0.133 0.133
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0045 0.133 0.133
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0073 0.4629 0.3793
Echinococcus multilocularis methionine synthase reductase 0.0073 0.4629 0.4629
Trypanosoma cruzi p450 reductase, putative 0.0118 1 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0105 0.8404 0.8159
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1347 0.1347
Entamoeba histolytica type A flavoprotein, putative 0.0045 0.133 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0118 1 1
Brugia malayi FAD binding domain containing protein 0.0118 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0118 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0118 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0118 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 34 nM In vitro inhibition of rat neuronal nitric oxide synthase ChEMBL. 14998342
IC50 (binding) = 34 nM In vitro inhibition of rat neuronal nitric oxide synthase ChEMBL. 14998342
IC50 (binding) = 70 nM Inhibition of human nNOS ChEMBL. 23458846
IC50 (binding) = 70.9 nM In vitro inhibition of human neuronal nitric oxide synthase ChEMBL. 14998342
IC50 (binding) = 70.9 nM In vitro inhibition of human neuronal nitric oxide synthase ChEMBL. 14998342
IC50 (binding) = 517 nM In vitro inhibition of human inducible nitric oxide synthase ChEMBL. 14998342
IC50 (binding) = 517 nM In vitro inhibition of human inducible nitric oxide synthase ChEMBL. 14998342
IC50 (binding) = 3533 nM In vitro inhibition of human endothelial nitric oxide synthase ChEMBL. 14998342
IC50 (binding) = 3533 nM In vitro inhibition of human endothelial nitric oxide synthase ChEMBL. 14998342

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

2 literature references were collected for this gene.

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