Detailed information for compound 232542

Basic information

Technical information
  • TDR Targets ID: 232542
  • Name: (2S)-7-methoxy-N,N-dipropyl-1,2,3,4-tetrahydr onaphthalen-2-amine
  • MW: 261.402 | Formula: C17H27NO
  • H donors: 0 H acceptors: 0 LogP: 4.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN([C@H]1CCc2c(C1)cc(cc2)OC)CCC
  • InChi: 1S/C17H27NO/c1-4-10-18(11-5-2)16-8-6-14-7-9-17(19-3)13-15(14)12-16/h7,9,13,16H,4-6,8,10-12H2,1-3H3/t16-/m0/s1
  • InChiKey: OKVMMISWCZKJGO-INIZCTEOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-7-methoxy-N,N-dipropyl-tetralin-2-amine
  • (2S)-7-methoxy-N,N-dipropyl-2-tetralinamine
  • [(2S)-7-methoxytetralin-2-yl]-dipropyl-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D3 Starlite/ChEMBL References
Homo sapiens dopamine receptor D2 Starlite/ChEMBL References
Homo sapiens dopamine receptor D4 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein dopamine receptor D3 400 aa 392 aa 19.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei Peptide deformylase 2 0.0359 0.0535 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0607 0.1865 0.3937
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.2123 1 1
Plasmodium falciparum peptide deformylase 0.094 0.3655 0.5
Treponema pallidum polypeptide deformylase (def) 0.094 0.3655 0.5
Brugia malayi Matrixin family protein 0.0607 0.1865 0.309
Loa Loa (eye worm) hypothetical protein 0.0607 0.1865 0.309
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0359 0.0535 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0359 0.0535 0.5
Brugia malayi Matrixin family protein 0.0607 0.1865 0.309
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1142 0.4738 0.4738
Trypanosoma cruzi Peptide deformylase 2, putative 0.0359 0.0535 0.5
Brugia malayi Matrixin family protein 0.0607 0.1865 0.309
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.1003 0.3992 0.6614
Loa Loa (eye worm) hypothetical protein 0.0607 0.1865 0.309
Loa Loa (eye worm) hypothetical protein 0.0607 0.1865 0.309
Onchocerca volvulus Matrilysin homolog 0.0607 0.1865 0.3199
Onchocerca volvulus Matrix metalloproteinase homolog 0.1346 0.5829 1
Leishmania major polypeptide deformylase-like protein, putative 0.0359 0.0535 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0739 0.2574 0.4265
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1003 0.3992 0.3992
Onchocerca volvulus Matrilysin homolog 0.1346 0.5829 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1003 0.3992 0.3992
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.062 0.1936 0.3207
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.1142 0.4738 0.5
Brugia malayi Hemopexin family protein 0.0777 0.2781 0.4607
Onchocerca volvulus 0.0777 0.2781 0.4771
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.094 0.3655 0.5
Loa Loa (eye worm) hypothetical protein 0.0739 0.2574 0.4265
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1142 0.4738 0.4738
Plasmodium vivax peptide deformylase, putative 0.094 0.3655 0.5
Brugia malayi Matrixin family protein 0.1384 0.6036 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1142 0.4738 0.4738
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0269 0.0051 0.0107
Loa Loa (eye worm) hypothetical protein 0.1142 0.4738 0.7849
Loa Loa (eye worm) matrix metalloproteinase 0.0607 0.1865 0.309
Brugia malayi Matrixin family protein 0.0607 0.1865 0.309
Mycobacterium ulcerans peptide deformylase 0.094 0.3655 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.094 0.3655 1
Onchocerca volvulus 0.0607 0.1865 0.3199
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.1003 0.3992 0.6614
Trypanosoma brucei Polypeptide deformylase 1 0.0359 0.0535 0.5
Schistosoma mansoni hypothetical protein 0.0777 0.2781 0.587
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1142 0.4738 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1142 0.4738 0.4738
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0359 0.0535 0.5
Chlamydia trachomatis peptide deformylase 0.094 0.3655 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.1142 0.4738 1
Brugia malayi Angiotensin-converting enzyme family protein 0.062 0.1936 0.3207
Loa Loa (eye worm) matrixin family protein 0.1346 0.5829 0.9658
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.094 0.3655 1
Loa Loa (eye worm) matrixin family protein 0.1384 0.6036 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) nM Binding affinity was evaluated by calculating competition for [3H]-N-0437 binding on Dopamine receptor D2L of CHO K-1 cells; Not determined ChEMBL. 8863800
Ki (binding) 0 nM Binding affinity was evaluated by calculating competition for [3H]-N-0437 binding on Dopamine receptor D2L of CHO K-1 cells; Not determined ChEMBL. 8863800
Ki (binding) = 266 nM Binding affinity was evaluated by calculating competition for [3H]-spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells. ChEMBL. 8863800
Ki (binding) = 266 nM Binding affinity was evaluated by calculating competition for [3H]-spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells. ChEMBL. 8863800
Ki (binding) = 335 nM Binding affinity was evaluated by calculating competition for [3H]-spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells. ChEMBL. 8863800
Ki (binding) = 335 nM Binding affinity was evaluated by calculating competition for [3H]-spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells. ChEMBL. 8863800
Ki (binding) = 3351 nM Binding affinity was evaluated by calculating competition for [3H]-spiperone binding on Dopamine receptor D2L of CHO K-1 cells. ChEMBL. 8863800
Ki (binding) = 3351 nM Binding affinity was evaluated by calculating competition for [3H]-spiperone binding on Dopamine receptor D2L of CHO K-1 cells. ChEMBL. 8863800

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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