Detailed information for compound 1501402

Basic information

Technical information
  • TDR Targets ID: 1501402
  • Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimi din-5-yl]-N-(2-methoxyethyl)cyclobutanecarbox amide
  • MW: 338.402 | Formula: C16H26N4O4
  • H donors: 2 H acceptors: 3 LogP: 0.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)C1CCC1
  • InChi: 1S/C16H26N4O4/c1-10(2)9-20-13(17)12(14(21)18-16(20)23)19(7-8-24-3)15(22)11-5-4-6-11/h10-11H,4-9,17H2,1-3H3,(H,18,21,23)
  • InChiKey: ZKABSJGDINADIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)cyclobutanecarboxamide
  • N-(6-amino-1-isobutyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methoxyethyl)cyclobutanecarboxamide
  • N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)cyclobutanecarboxamide
  • N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-pyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide
  • T5506210
  • ZINC07724750

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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 regulator of G protein signaling 7 0.001 0.0149 0.0647
Onchocerca volvulus 0.001 0.0149 0.0106
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0149 0.0647
Entamoeba histolytica hypothetical protein 0.0039 0.1178 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1667 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1667 0.7126
Brugia malayi hypothetical protein 0.0039 0.1178 0.1301
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0225 0.7796 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0149 0.012
Trypanosoma brucei pteridine reductase 1 0.0015 0.0326 0.5
Brugia malayi N-terminal motif family protein 0.0209 0.7218 0.8228
Echinococcus granulosus cpg binding protein 0.0035 0.1033 0.6096
Schistosoma mansoni cpg binding protein 0.0033 0.0966 0.4129
Leishmania major pteridine reductase 1 0.0015 0.0326 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0196 0.0938
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0225 0.7796 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0044 0.0188
Plasmodium vivax SET domain protein, putative 0.0037 0.1093 0.1027
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.2339 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0149 0.012
Brugia malayi DIX domain containing protein 0.001 0.0149 0.012
Brugia malayi CXXC zinc finger family protein 0.0033 0.0966 0.1057
Loa Loa (eye worm) retinol dehydrogenase 12 0.0015 0.0326 0.0323
Brugia malayi Pre-SET motif family protein 0.0252 0.8763 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Loa Loa (eye worm) hypothetical protein 0.0015 0.0326 0.0323
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0124 0.0494
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1667 0.1861
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.1093 0.4674
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0225 0.7796 1
Entamoeba histolytica hypothetical protein 0.0039 0.1178 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0225 0.7796 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1093 0.1203
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0007
Onchocerca volvulus 0.0015 0.0326 0.0283
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0015 0.0326 0.5
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0015 0.0326 0.0231
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0015 0.0326 0.5
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0015 0.0326 0.2485
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0007
Brugia malayi hypothetical protein 0.001 0.0149 0.012
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0007
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0044 0.0188
Schistosoma mansoni hypothetical protein 0.0039 0.1178 0.5036
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0149 0.0647
Schistosoma mansoni dep domain containing protein 0.001 0.0149 0.0637
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0015 0.0326 0.1736
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0015 0.0326 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0015 0.0326 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0015 0.0326 0.0231
Loa Loa (eye worm) hypothetical protein 0.001 0.0149 0.012
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1178 0.6988
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0149 0.0647
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0149 0.0637
Entamoeba histolytica hypothetical protein 0.0039 0.1178 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0149 0.0647
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0149 0.012
Schistosoma mansoni cpg binding protein 0.0035 0.1033 0.4418
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0149 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0124 0.0531
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Trichomonas vaginalis set domain proteins, putative 0.0287 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.1093 0.6465
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1667 0.7126
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1178 0.6988
Trichomonas vaginalis helicase, putative 0.0008 0.0051 0.0007
Onchocerca volvulus 0.0037 0.1093 0.1054
Schistosoma mansoni regulator of G protein signaling 0.001 0.0149 0.0637
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0149 0.0647
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1667 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.0031 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.1093 0.4674
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0326 0.0323
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0051 0.0007
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0149 0.0647
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0209 0.7218 0.7206
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.2071 0.2514
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0015 0.0326 0.1393
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0149 0.0647
Onchocerca volvulus 0.0033 0.0966 0.0926
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1667 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0225 0.7796 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.8763 1
Leishmania major oxidoreductase-like protein 0.0015 0.0326 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0149 0.012
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.102 0.6015
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0149 0.012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1667 0.7126
Schistosoma mansoni dishevelled 0.001 0.0149 0.0637
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0015 0.0326 0.0231
Loa Loa (eye worm) hypothetical protein 0.0209 0.7218 0.8228
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0015 0.0326 0.0323
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.1093 0.4674
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0326 0.0323
Trypanosoma brucei oxidoreductase-like protein 0.0015 0.0326 0.5
Trichomonas vaginalis hypothetical protein 0.0225 0.7796 0.7786
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1667 0.1861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1667 1
Schistosoma mansoni cpg binding protein 0.0035 0.1033 0.4418
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.1093 0.6465
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0149 0.0637
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0007
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1178 0.5036
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0124 0.0494
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0225 0.7796 1
Echinococcus multilocularis cpg binding protein 0.0035 0.1033 0.6096
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0044 0.0188
Loa Loa (eye worm) oxidoreductase 0.0015 0.0326 0.0323
Brugia malayi Pre-SET motif family protein 0.0037 0.1093 0.1203
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0124 0.0494
Onchocerca volvulus 0.0015 0.0326 0.0283
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0196 0.0938
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.1093 0.6465
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0015 0.0326 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0149 0.0647
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0149 0.0106
Plasmodium falciparum enoyl-acyl carrier reductase 0.0225 0.7796 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0225 0.7796 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.1093 0.1235
Schistosoma mansoni dihydropteridine reductase 0.0015 0.0326 0.1393
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0051 0.0007
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0044 0.0188
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.1093 0.4674
Entamoeba histolytica hypothetical protein 0.0039 0.1178 1
Brugia malayi hypothetical protein 0.001 0.0149 0.012
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0196 0.0175
Schistosoma mansoni dishevelled 0.001 0.0149 0.0637
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0015 0.0326 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0966 0.1057
Loa Loa (eye worm) hypothetical protein 0.001 0.0149 0.012
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0007
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0015 0.0326 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0149 0.012
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0044 0.0188
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0051 0.0007
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0124 0.0494
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0192 0.0169
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0015 0.0326 0.1736

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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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