Detailed information for compound 1187670

Basic information

Technical information
  • TDR Targets ID: 1187670
  • Name: 7H-purine-2,8-diamine
  • MW: 150.141 | Formula: C5H6N6
  • H donors: 3 H acceptors: 3 LogP: -0.88 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1[nH]cc2c(n1)nc(n2)N
  • InChi: 1S/C5H6N6/c6-4-8-1-2-3(10-4)11-5(7)9-2/h1H,(H5,6,7,8,9,10,11)
  • InChiKey: VKKXEIQIGGPMHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-amino-7H-purin-8-yl)amine
  • 644-40-6
  • NSC54260

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 falciparum ataxin-2 like protein, putative 0.0026 0.3544 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.4131 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.042 0.1593
Schistosoma mansoni ap endonuclease 0.002 0.2637 0.2637
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0818 0.0818
Loa Loa (eye worm) hypothetical protein 0.0014 0.1533 0.371
Loa Loa (eye worm) hypothetical protein 0.0014 0.1533 0.371
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.042 0.1593
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.2637 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.1222 0.1222
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0818 0.1979
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.042 0.1593
Loa Loa (eye worm) hypothetical protein 0.0014 0.1619 0.392
Echinococcus multilocularis musashi 0.0029 0.4071 0.4071
Trichomonas vaginalis ap endonuclease, putative 0.002 0.2637 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0021 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.3544 1
Schistosoma mansoni ap endonuclease 0.002 0.2637 0.2637
Echinococcus multilocularis cpg binding protein 0.0031 0.4405 0.4405
Onchocerca volvulus 0.003 0.4131 1
Trichomonas vaginalis helicase, putative 0.0007 0.042 0.1593
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.2637 0.6383
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.2637 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.3544 0.3544
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0525 0.0525
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.9511 0.9511
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.2637 0.744
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.3544 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.4071 0.9853
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.2637 0.744
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.2637 0.6383
Loa Loa (eye worm) hypothetical protein 0.0026 0.3544 0.8579
Echinococcus multilocularis lamin dm0 0.0029 0.4071 0.4071
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.042 0.1593
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.042 0.1593
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.1619 0.1619
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Schistosoma mansoni hypothetical protein 0.0012 0.1222 0.1222
Toxoplasma gondii exonuclease III APE 0.002 0.2637 0.2637
Loa Loa (eye worm) intermediate filament protein 0.0029 0.4071 0.9853
Schistosoma mansoni lamin 0.0029 0.4071 0.4071
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.042 0.1593
Leishmania major hypothetical protein, conserved 0.0026 0.3544 0.3544
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.042 0.1593
Onchocerca volvulus 0.0029 0.4071 0.9853
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.2637 0.2637
Loa Loa (eye worm) hypothetical protein 0.0029 0.4071 0.9853
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.4071 0.9853
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.3544 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.042 0.1593
Brugia malayi CXXC zinc finger family protein 0.003 0.4131 1
Brugia malayi intermediate filament protein 0.0029 0.4071 0.9853
Brugia malayi hypothetical protein 0.0017 0.2052 0.4966
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.8424 0.8424
Schistosoma mansoni intermediate filament proteins 0.0029 0.4071 0.4071
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.2637 0.744
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.2637 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0525 0.0525
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.2637 0.2637
Schistosoma mansoni cpg binding protein 0.0031 0.4405 0.4405
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.2637 0.2637
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Echinococcus multilocularis lamin 0.0029 0.4071 0.4071
Schistosoma mansoni lamin 0.0029 0.4071 0.4071
Loa Loa (eye worm) hypothetical protein 0.0029 0.3984 0.9643
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.2637 0.2637
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0818 0.0818
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.1871 0.4529
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.2637 1
Echinococcus granulosus cpg binding protein 0.0031 0.4405 0.4405
Schistosoma mansoni cpg binding protein 0.003 0.4131 0.4131
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0799 0.1933
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.042 0.1593
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.1222 0.1222
Echinococcus granulosus intermediate filament protein 0.0029 0.4071 0.4071
Trichomonas vaginalis ap endonuclease, putative 0.002 0.2637 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.3544 1
Echinococcus granulosus lamin 0.0029 0.4071 0.4071
Brugia malayi hypothetical protein 0.0026 0.3544 0.8579
Schistosoma mansoni cpg binding protein 0.0031 0.4405 0.4405
Onchocerca volvulus 0.0029 0.4071 0.9853
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0525 0.0525
Echinococcus granulosus lamin dm0 0.0029 0.4071 0.4071
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0525 0.0525
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.1619 0.1619
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0525 0.0525
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.2637 0.744
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.1871 0.4529
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.3544 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.2637 0.744

Activities

Activity type Activity value Assay description Source Reference
Kis (binding) = 31.7 uM Competitive inhibition of human GST-tagged LMW-PTP-B expressed in Escherichia coli JM 109 cells using p-nitrophenyl phosphate as substrate after 15 mins by microplate reader analysis ChEMBL. 24035092
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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