Detailed information for compound 577113

Basic information

Technical information
  • TDR Targets ID: 577113
  • Name: N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentan e-1,4-diamine; phosphono dihydrogen phosphate
  • MW: 497.847 | Formula: C18H30ClN3O7P2
  • H donors: 5 H acceptors: 7 LogP: -0.75 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(OP(=O)(O)O)O.CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC
  • InChi: 1S/C18H26ClN3.H4O7P2/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-8(2,3)7-9(4,5)6/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H2,1,2,3)(H2,4,5,6)
  • InChiKey: HGPIJVNMHYWREY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine; phosphono dihydrogen phosphate
  • N4-(7-chloroquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; phosphono dihydrogen phosphate
  • 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine; phosphono dihydrogen phosphate
  • 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; phosphono dihydrogen phosphate
  • chloroquine diphosphate
  • N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; phosphono dihydrogen phosphate
  • N'-(7-chloro-4-quinolyl)-N,N-diethyl-pentane-1,4-diamine; phosphono dihydrogen phosphate
  • N'-(7-chloro-4-quinolyl)-N,N-diethylpentane-1,4-diamine; phosphono dihydrogen phosphate
  • N'-(7-chloroquinolin-4-yl)-N,N-diethyl-pentane-1,4-diamine; phosphono dihydrogen phosphate
  • 69698-55-1
  • 67459-54-5
  • Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, diphosphate, (+)-
  • d-Chloroquine
  • Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, diphosphate, (-)-
  • l-Chloroquine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0342 0.0691 0.25
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0005 0.0026
Schistosoma mansoni amine oxidase 0.0342 0.0691 0.4574
Loa Loa (eye worm) hypothetical protein 0.0342 0.0691 1
Brugia malayi SWIRM domain containing protein 0.0342 0.0691 1
Plasmodium vivax hypothetical protein, conserved 0.0342 0.0691 0.25
Leishmania major UDP-galactopyranose mutase 0.0342 0.0691 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0136 0.1911
Schistosoma mansoni hypothetical protein 0.0034 0.0055 0.0357
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1308 0.2682 0.2864
Brugia malayi CXXC zinc finger family protein 0.0031 0.0049 0.0642
Schistosoma mansoni cpg binding protein 0.0032 0.0053 0.034
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0055 0.0357
Echinococcus granulosus lysine specific histone demethylase 1A 0.0342 0.0691 0.4574
Schistosoma mansoni microtubule-associated protein tau 0.0739 0.1509 1
Mycobacterium ulcerans dehydrogenase 0.0342 0.0691 0.0666
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0336 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0055 0.0357
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1308 0.2682 0.2662
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0336 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1308 0.2682 0.2662
Schistosoma mansoni hypothetical protein 0.0438 0.0888 0.5885
Mycobacterium ulcerans monoamine oxidase 0.0342 0.0691 0.0666
Loa Loa (eye worm) hypothetical protein 0.0342 0.0691 1
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0336 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0342 0.0691 0.4574
Loa Loa (eye worm) hypothetical protein 0.0073 0.0136 0.1908
Onchocerca volvulus 0.0342 0.0691 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0005 0.0026
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0055 0.0733
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.4515 0.9295 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.012 0.0788
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0027 0.0171
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0336 1
Schistosoma mansoni cpg binding protein 0.0031 0.0049 0.0316
Schistosoma mansoni hypothetical protein 0.0034 0.0055 0.0357
Loa Loa (eye worm) hypothetical protein 0.0107 0.0206 0.2924
Schistosoma mansoni amine oxidase 0.0342 0.0691 0.4574
Plasmodium vivax hypothetical protein, conserved 0.0342 0.0691 0.25
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0055 0.073
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1308 0.2682 1
Chlamydia trachomatis oxoacyl-ACP synthase III 0.1308 0.2682 1
Schistosoma mansoni hypothetical protein 0.0073 0.0136 0.0894
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0055 0.0357
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0342 0.0691 0.4574
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1308 0.2682 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0342 0.0691 0.25
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0342 0.0691 0.25
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0049 0.0638
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0106 0.1177
Echinococcus multilocularis dnaJ subfamily B 0.0438 0.0888 0.5885
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0342 0.0691 0.4574
Echinococcus multilocularis GPCR, family 2 0.0034 0.0055 0.0357
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1308 0.2682 0.2662
Brugia malayi amine oxidase, flavin-containing family protein 0.0342 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.0691 1
Echinococcus granulosus dnaJ subfamily B 0.0438 0.0888 0.5885
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.0206 0.2926
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0027 0.0319
Schistosoma mansoni hypothetical protein 0.0034 0.0055 0.0357
Brugia malayi hypothetical protein 0.0342 0.0691 1
Echinococcus granulosus GPCR family 2 0.0034 0.0055 0.0357
Loa Loa (eye worm) hypothetical protein 0.0034 0.0055 0.073
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.4857 1 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.0691 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0342 0.0691 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0342 0.0691 0.0716
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.0206 0.2926
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0342 0.0691 0.25
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0342 0.0691 0.0666
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0342 0.0691 0.4574
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0171
Toxoplasma gondii histone lysine-specific demethylase 0.0342 0.0691 0.9942
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0055 0.0733
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0027 0.0171
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0027 0.0323
Trypanosoma cruzi UDP-galactopyranose mutase 0.0342 0.0691 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0342 0.0691 0.0716
Echinococcus multilocularis cpg binding protein 0.0032 0.0053 0.034
Schistosoma mansoni hypothetical protein 0.0034 0.0055 0.0357
Schistosoma mansoni cpg binding protein 0.0032 0.0053 0.034
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0344 0.0695 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0055 0.0357
Loa Loa (eye worm) hypothetical protein 0.0342 0.0691 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0027 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.0206 0.2924
Trypanosoma cruzi UDP-galactopyranose mutase 0.0342 0.0691 1
Echinococcus multilocularis microtubule associated protein 2 0.0739 0.1509 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0027 0.5
Echinococcus granulosus microtubule associated protein 2 0.0739 0.1509 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0342 0.0691 0.4574
Mycobacterium ulcerans oxidoreductase 0.0342 0.0691 0.0666
Echinococcus granulosus cpg binding protein 0.0032 0.0053 0.034
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0336 1
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0171
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0027 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0342 0.0691 0.25
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1308 0.2682 1
Echinococcus multilocularis 0.0342 0.0691 0.4574

Activities

No activities found for this compound.

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

No literature references available for this target.

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