Detailed information for compound 177728

Basic information

Technical information
  • TDR Targets ID: 177728
  • Name: 6-N,6-N-dipropyl-5,6,7,8-tetrahydroquinoline- 2,6-diamine
  • MW: 247.379 | Formula: C15H25N3
  • H donors: 1 H acceptors: 1 LogP: 3.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C1CCc2c(C1)ccc(n2)N)CCC
  • InChi: 1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)
  • InChiKey: QDXLLGQCGFUDMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N6,N6-dipropyl-5,6,7,8-tetrahydroquinoline-2,6-diamine
  • (2-amino-5,6,7,8-tetrahydroquinolin-6-yl)-dipropyl-amine
  • N',N'-dipropyl-5,6,7,8-tetrahydroquinoline-2,6-diamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D2 Starlite/ChEMBL References
Homo sapiens dopamine receptor D3 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
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0234 1 1
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0029 0 0.5
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0029 0 0.5
Trypanosoma brucei oxidoreductase, putative 0.0029 0 0.5
Leishmania major zinc binding dehydrogenase-like protein 0.0029 0 0.5
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0234 1 1
Trypanosoma brucei oxidoreductase, putative 0.0029 0 0.5
Trypanosoma cruzi oxidoreductase, putative 0.0029 0 0.5
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0029 0 0.5
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0029 0 0.5
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0234 1 1
Leishmania major oxidoreductase, putative 0.0029 0 0.5
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0029 0 0.5
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0029 0 0.5
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0205 0.8612 0.8612
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0205 0.8612 0.8612
Leishmania major d-xylulose reductase, putative 0.0029 0 0.5
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0029 0 0.5
Trypanosoma cruzi oxidoreductase, putative 0.0029 0 0.5
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0029 0 0.5
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0029 0 0.5
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0029 0 0.5
Onchocerca volvulus Putative alcohol dehydrogenase 0.0234 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0029 0 0.5
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0234 1 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0029 0 0.5
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0234 1 1
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0029 0 0.5
Leishmania major quinone oxidoreductase, putative 0.0029 0 0.5
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0234 1 1
Leishmania major oxidoreductase-like protein 0.0029 0 0.5
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0234 1 1
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0234 1 1
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0234 1 1
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0029 0 0.5
Schistosoma mansoni alcohol dehydrogenase 0.0234 1 1
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0029 0 0.5
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0029 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Decrease (functional) = 86 % Percent reversal of the increase on DOPA levels in the striatum of GBL-treated rats administered ip with 10 mg/kg of compound. ChEMBL. 7636875
ED50 (functional) = 0.05 mg kg-1 Inhibition of locomotor activity(LMA) in mouse after sc administration of the compound. ChEMBL. 7636875
ED50 (functional) = 0.05 mg kg-1 Inhibition of locomotor activity(LMA) in mouse after sc administration of the compound. ChEMBL. 7636875
ED50 (functional) = 0.25 mg kg-1 Inhibition of locomotor activity(LMA) in mouse after ip administration of the compound. ChEMBL. 7636875
ED50 (functional) = 0.25 mg kg-1 Inhibition of locomotor activity(LMA) in mouse after ip administration of the compound. ChEMBL. 7636875
Ki (binding) = 0.87 nM In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells. ChEMBL. 7636875
Ki (binding) = 0.87 nM In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells. ChEMBL. 7636875
Ki (binding) = 5 nM In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells ChEMBL. 7636875
Ki (binding) = 5 nM In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells ChEMBL. 7636875
Ki (binding) = 17.1 nM In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells ChEMBL. 7636875
Ki (binding) = 17.1 nM In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells ChEMBL. 7636875

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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