Detailed information for compound 1409013

Basic information

Technical information
  • TDR Targets ID: 1409013
  • Name: 6-amino-1-(2-methoxyethyl)-5-(phenylmethylami no)pyrimidine-2,4-dione
  • MW: 290.318 | Formula: C14H18N4O3
  • H donors: 3 H acceptors: 2 LogP: 0.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O
  • InChi: 1S/C14H18N4O3/c1-21-8-7-18-12(15)11(13(19)17-14(18)20)16-9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20)
  • InChiKey: FGUMUZKTCACZCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-quinone
  • ZINC03313208

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Caenorhabditis elegans Protein MEX-5 Starlite/ChEMBL No references
Caenorhabditis elegans Protein POS-1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
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
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0057 0.1085 0.1002
Schistosoma mansoni cpg binding protein 0.0037 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0435 0.8804 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0057 0.1085 0.123
Trypanosoma brucei SIR2-like protein 4, putative 0.0057 0.1085 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1418 0.1418
Schistosoma mansoni chromatin regulatory protein sir2 0.0057 0.1085 0.1085
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0057 0.1085 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.0084
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0057 0.1085 0.123
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0057 0.1085 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.0084
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi NAD-dependent deacetylase SIRT1 0.0435 0.8804 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0057 0.1085 0.1002
Brugia malayi CXXC zinc finger family protein 0.0035 0.0624 0.0567
Loa Loa (eye worm) sirtuin 4 0.0057 0.1085 0.1095
Schistosoma mansoni chromatin regulatory protein sir2 0.0057 0.1085 0.1085
Mycobacterium ulcerans Sir2-like regulatory protein 0.0057 0.1085 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0435 0.8804 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0057 0.1085 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Brugia malayi transcriptional regulator, Sir2 family protein 0.0057 0.1085 0.1098
Schistosoma mansoni chromatin regulatory protein sir2 0.0057 0.1085 0.1085
Plasmodium vivax hypothetical protein, conserved 0.0057 0.1085 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0136 0.0044
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0435 0.8804 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0057 0.1085 0.5557
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1258 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.0084
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0435 0.8804 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0057 0.1085 0.1002
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0057 0.1085 0.123
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.0084
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0057 0.1085 0.1002
Leishmania major silent information regulator 2, putative 0.0057 0.1085 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.0084
Mycobacterium ulcerans NAD-dependent deacetylase 0.0057 0.1085 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0665 0.0578
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0435 0.8804 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0057 0.1085 0.1002
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1952 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Echinococcus multilocularis chromatin regulatory protein sir2 0.0057 0.1085 0.1002
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Echinococcus granulosus chromatin regulatory protein sir2 0.0057 0.1085 0.1002
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0057 0.1085 0.123
Loa Loa (eye worm) transcriptional regulator 0.0057 0.1085 0.1095
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.0084
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0057 0.1085 0.5557
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0624 0.0564
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0435 0.8804 0.8793
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0057 0.1085 0.1002
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0077 0.0084
Brugia malayi transcriptional regulator, Sir2 family protein 0.0057 0.1085 0.1098
Loa Loa (eye worm) hypothetical protein 0.01 0.1952 0.2096
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0057 0.1085 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0057 0.1085 0.5
Onchocerca volvulus 0.0035 0.0624 0.5
Loa Loa (eye worm) transcriptional regulator 0.0057 0.1085 0.1095
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0435 0.8804 0.8793
Entamoeba histolytica hypothetical protein, conserved 0.0057 0.1085 0.5557
Schistosoma mansoni chromatin regulatory protein sir2 0.0435 0.8804 0.8804
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0057 0.1085 0.5557
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0057 0.1085 0.5
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0057 0.1085 0.5
Leishmania major sir2-family protein-like protein 0.0057 0.1085 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0018 0.0018
Schistosoma mansoni chromatin regulatory protein sir2 0.0057 0.1085 0.1085
Loa Loa (eye worm) transcriptional regulator 0.0057 0.1085 0.1095
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0057 0.1085 0.123
Loa Loa (eye worm) hypothetical protein 0.0378 0.7636 0.8652
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0057 0.1085 0.123
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0057 0.1085 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0665 0.0665
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1952 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0665 0.0578
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0092 0.0092
Schistosoma mansoni chromatin regulatory protein sir2 0.0057 0.1085 0.1085
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0057 0.1085 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.0084
Brugia malayi transcriptional regulator, Sir2 family protein 0.0057 0.1085 0.1098
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0136 0.0044
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0057 0.1085 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0435 0.8804 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0057 0.1085 0.1085
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0057 0.1085 0.5557
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0077 0.0084
Trichomonas vaginalis helicase, putative 0.0008 0.0077 0.0084
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0057 0.1085 0.123
Schistosoma mansoni cpg binding protein 0.0035 0.0624 0.0624
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0057 0.1085 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 3.035 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 5.466 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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

No literature references available for this target.

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