Detailed information for compound 624115

Basic information

Technical information
  • TDR Targets ID: 624115
  • Name: 7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-me thylpurine-2,6-dione
  • MW: 385.46 | Formula: C20H27N5O3
  • H donors: 2 H acceptors: 3 LogP: 3.44 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCn1c(NCc2ccc(cc2)OC)nc2c1c(=O)[nH]c(=O)n2C
  • InChi: 1S/C20H27N5O3/c1-4-5-6-7-12-25-16-17(24(2)20(27)23-18(16)26)22-19(25)21-13-14-8-10-15(28-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3,(H,21,22)(H,23,26,27)
  • InChiKey: OAJPXUXPHDEMMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione
  • 7-hexyl-8-[(4-methoxybenzyl)amino]-3-methyl-xanthine
  • ZINC02716130

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
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1282 0.329
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1414 0.2067
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Leishmania major hypothetical protein, conserved 0.0051 0.1612 0.4725
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.561 0.561
Onchocerca volvulus Huntingtin homolog 0.0253 1 1
Trypanosoma brucei pantothenate kinase subunit, putative 0.0091 0.3242 1
Echinococcus granulosus pantothenate kinase 4 0.0091 0.3242 0.5709
Brugia malayi MAP kinase sur-1 0.0053 0.1698 0.1698
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.5438 1
Brugia malayi pantothenate kinase family protein 0.0091 0.3242 0.3242
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1414 0.2067
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1698 0.1698
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0321 0.5
Loa Loa (eye worm) acetyltransferase 0.0147 0.561 0.561
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1698 0.4977
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1698 0.4977
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0321 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1698 0.4977
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1282 0.329
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Trichomonas vaginalis pantothenate kinase, putative 0.0091 0.3242 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0321 0.0321
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1698 0.2691
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1698 0.4714
Schistosoma mansoni hypothetical protein 0.0023 0.0436 0.0217
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.1612 0.4725
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1414 0.1414
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1698 0.5237
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.1132 0.2776
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1698 0.4714
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1282 0.329
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0321 0.5
Plasmodium vivax pantothenate kinase, putative 0.0091 0.3242 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0321 0.0942
Schistosoma mansoni pantothenate kinase 0.0091 0.3242 0.5523
Plasmodium vivax hypothetical protein, conserved 0.0038 0.1069 0.256
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0095 0.3412 1
Loa Loa (eye worm) pantothenate kinase 0.0091 0.3242 0.3242
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.1612 0.4725
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0321 0.5
Echinococcus multilocularis pantothenate kinase 4 0.0091 0.3242 0.5523
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.561 1
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.1653 0.4559
Toxoplasma gondii fumble protein 0.0091 0.3242 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.1612 0.4419
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1282 0.329
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1698 0.4977
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1698 0.2604
Plasmodium falciparum pantothenate kinase 2, putative 0.0038 0.1069 0.256
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0436 0.0217
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.561 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.1612 0.4419
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0321 0.0942
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1698 0.4714
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.1612 0.4419
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1414 0.1414
Trichomonas vaginalis pantothenate kinase, putative 0.0091 0.3242 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1414 0.2136
Trypanosoma brucei protein kinase, putative 0.0053 0.1698 0.5237
Schistosoma mansoni pantothenate kinase 0.0091 0.3242 0.5523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1414 0.2067
Plasmodium falciparum pantothenate kinase 1, putative 0.0091 0.3242 1
Leishmania major pantothenate kinase subunit, putative 0.0095 0.3412 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1698 0.4977
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1414 0.2136
Trichomonas vaginalis pantothenate kinase, putative 0.0091 0.3242 1
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1132 0.2776
Trichomonas vaginalis pantothenate kinase, putative 0.0091 0.3242 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1698 0.4714
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0091 0.3242 0.9502
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1698 0.4714
Brugia malayi hypothetical protein 0.0051 0.1612 0.1612
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1414 0.2067
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0436 0.0225
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1698 0.4714
Onchocerca volvulus Huntingtin homolog 0.0253 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.1612 0.4419
Brugia malayi hypothetical protein 0.0033 0.0856 0.0856
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1698 0.2604
Loa Loa (eye worm) hypothetical protein 0.0051 0.1612 0.1612
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1282 0.329
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1282 0.1879
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1698 0.4977
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0321 0.0321
Entamoeba histolytica pantothenate kinase 1, putative 0.0091 0.3242 1
Trichomonas vaginalis pantothenate kinase, putative 0.0091 0.3242 1
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1132 0.2776
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1698 0.2604
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1414 0.2067
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.1612 0.4972
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1698 0.2691
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0321 0.0991
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0321 0.0942
Giardia lamblia Pantothenate kinase 4 0.0091 0.3242 1
Toxoplasma gondii pantothenate kinase 0.0038 0.1069 0.256

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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