Detailed information for compound 1582332

Basic information

Technical information
  • TDR Targets ID: 1582332
  • Name: methyl 2-[4-methyl-6-oxo-2-(phenylmethylsulfa nyl)-3H-pyrimidin-5-yl]acetate
  • MW: 304.364 | Formula: C15H16N2O3S
  • H donors: 1 H acceptors: 4 LogP: 2.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1c(C)nc(nc1O)SCc1ccccc1
  • InChi: 1S/C15H16N2O3S/c1-10-12(8-13(18)20-2)14(19)17-15(16-10)21-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,19)
  • InChiKey: OHRZLFWPDCEKNU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-methyl-6-oxo-2-(phenylmethylthio)-3H-pyrimidin-5-yl]acetic acid methyl ester
  • 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid methyl ester
  • methyl 2-[4-methyl-6-oxo-2-(phenylmethylsulfanyl)-3H-pyrimidin-5-yl]ethanoate
  • BAS 04934414
  • ZINC00377315
  • (2-Benzylsulfanyl-4-hydroxy-6-methyl-pyrimidin-5-yl)-acetic acid methyl ester

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
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0145 0.0899 0.1791
Loa Loa (eye worm) hypothetical protein 0.0107 0.062 0.0664
Entamoeba histolytica hypothetical protein 0.0059 0.0264 0.1824
Schistosoma mansoni cpg binding protein 0.0098 0.0547 0.1078
Echinococcus granulosus hepatoma derived growth factor protein 0.005 0.0197 0.0371
Loa Loa (eye worm) SET domain-containing protein 0.03 0.2047 0.2226
Schistosoma mansoni hepatoma derived growth factor 0.005 0.0197 0.0371
Schistosoma mansoni enhancer of zeste ezh 0.03 0.2047 0.4116
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0059 0.0264 0.2683
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0039 0.0051
Echinococcus granulosus microtubule associated protein 2 0.0692 0.4953 1
Echinococcus granulosus DNA methyltransferase 2, putative 0.0196 0.128 0.2563
Onchocerca volvulus 0.0096 0.0534 0.0497
Echinococcus multilocularis protein arginine methyltransferase 0.0031 0.0051 0.0074
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0051 0.0074
Schistosoma mansoni protein arginine n-methyltransferase 0.0145 0.0899 0.1791
Giardia lamblia PHD finger protein 15 0.0029 0.0039 0.5
Schistosoma mansoni hypothetical protein 0.005 0.0197 0.0371
Echinococcus multilocularis PWWP domain containing protein 2A 0.005 0.0197 0.0371
Toxoplasma gondii DNA methyltransferase 2, putative 0.0196 0.128 1
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0031 0.0051 0.0091
Brugia malayi hypothetical protein 0.0037 0.0096 0.0105
Trypanosoma brucei Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0065 0.0309 0.2189
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0065 0.0309 0.322
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0085 0.0143
Echinococcus granulosus protein arginine N methyltransferase 7 0.0029 0.0037 0.0046
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0039 0.0021
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0031 0.0051 0.0112
Brugia malayi Protein arginine N-methyltransferase 0.0029 0.0037 0.004
Leishmania major histone-lysine N-methyltransferase, putative 0.0065 0.0309 0.2189
Loa Loa (eye worm) PWWP domain-containing protein 0.005 0.0197 0.0201
Schistosoma mansoni microtubule-associated protein tau 0.0692 0.4953 1
Brugia malayi Pre-SET motif family protein 0.1258 0.9146 1
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0896 0.6467 0.7066
Leishmania major spermidine synthase 0.0143 0.0882 0.6797
Brugia malayi Bromodomain containing protein 0.0029 0.0039 0.0043
Entamoeba histolytica hypothetical protein 0.005 0.0197 0.1293
Brugia malayi Bromodomain containing protein 0.0027 0.0026 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0197 0.1902
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.03 0.2047 0.4116
Leishmania major hypothetical protein, conserved 0.0065 0.0309 0.2189
Brugia malayi hypothetical protein 0.0059 0.0264 0.0288
Echinococcus multilocularis peregrin 0.0079 0.0413 0.0808
Echinococcus multilocularis microtubule associated protein 2 0.0692 0.4953 1
Brugia malayi F/Y-rich N-terminus family protein 0.0031 0.0053 0.0058
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0084 0.0444 0.3261
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0882 1
Brugia malayi NNMT/PNMT/TEMT family protein 0.0896 0.6467 0.707
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0188 0.1216 0.2433
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0149 0.0928 0.185
Mycobacterium ulcerans spermidine synthase 0.0099 0.0557 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1258 0.9146 1
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0196 0.128 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0188 0.1216 0.2433
Schistosoma mansoni cpg binding protein 0.0098 0.0547 0.1078
Brugia malayi Pre-SET motif family protein 0.0162 0.1026 0.1121
Echinococcus granulosus PWWP domain containing protein 2A 0.005 0.0197 0.0371
Plasmodium falciparum spermidine synthase 0.0143 0.0882 0.679
Leishmania major modification methylase-like protein 0.0196 0.128 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0124 0.0222
Leishmania major S-adenosylmethionine decarboxylase 0.0107 0.0615 0.4648
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0322 0.2292
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0196 0.128 0.2563
Brugia malayi jmjC domain containing protein 0.0037 0.0097 0.0106
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0107 0.0615 0.0672
Schistosoma mansoni SET domain protein 0.0065 0.0308 0.0594
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.053 0.1044
Loa Loa (eye worm) hypothetical protein 0.0112 0.0655 0.0701
Echinococcus granulosus protein arginine methyltransferase 0.0031 0.0051 0.0074
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0034 0.0074 0.0121
Toxoplasma gondii hypothetical protein 0.0169 0.1079 0.8386
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0051 0.0014
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0269 0.0279
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0107 0.0615 0.4648
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0128 0.0776 0.5943
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0065 0.0309 0.322
Leishmania major hypothetical protein, conserved 0.005 0.0197 0.1293
Loa Loa (eye worm) hypothetical protein 0.0188 0.1216 0.1316
Echinococcus granulosus peregrin 0.0079 0.0413 0.0808
Trypanosoma brucei histone-lysine n-methyltransferase 0.0065 0.0309 0.2189
Onchocerca volvulus 0.005 0.0197 0.0159
Loa Loa (eye worm) hypothetical protein 0.0037 0.0096 0.009
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0052 0.0209 0.1367
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0059 0.0264 0.1824
Trypanosoma cruzi Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0065 0.0309 0.322
Loa Loa (eye worm) hypothetical protein 0.0896 0.6467 0.7066
Brugia malayi Spermidine synthase 0.0143 0.0882 0.0964
Schistosoma mansoni suppressor of variegation 4-20-related 0.0136 0.0833 0.1657
Loa Loa (eye worm) hypothetical protein 0.0029 0.0039 0.0028
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0882 1
Trypanosoma cruzi histone-lysine N-methyltransferase, putative 0.0065 0.0309 0.322
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0136 0.0833 0.1657
Brugia malayi SET domain containing protein 0.0136 0.0833 0.091
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0145 0.0899 0.1791
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0196 0.128 1
Echinococcus multilocularis PWWP domain containing protein 2A 0.005 0.0197 0.0371
Loa Loa (eye worm) Carm1-pending protein 0.0145 0.0899 0.0969
Echinococcus granulosus histone lysine N methyltransferase Ez 0.03 0.2047 0.4116
Echinococcus granulosus methyltransferase protein 5 0.0029 0.0037 0.0046
Loa Loa (eye worm) hypothetical protein 0.005 0.0193 0.0196
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0136 0.0833 0.1657
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0027 0.0026 0.0025
Schistosoma mansoni hypothetical protein 0.0169 0.1076 0.2151
Loa Loa (eye worm) SET domain-containing protein 0.0136 0.0833 0.0896
Onchocerca volvulus 0.005 0.0197 0.0159
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0039 0.0021
Schistosoma mansoni hypothetical protein 0.0169 0.1076 0.2151
Onchocerca volvulus 0.0236 0.1572 0.1539
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0236 0.1572 0.3154
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0882 1
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.005 0.0197 0.1902
Trichomonas vaginalis set domain proteins, putative 0.1373 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0197 0.0201
Brugia malayi SET domain containing protein 0.0121 0.0718 0.0785
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0051 0.0074
Echinococcus multilocularis geminin 0.0169 0.1076 0.2151
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0077 0.0395 0.0772
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0107 0.0615 0.6838
Schistosoma mansoni hypothetical protein 0.005 0.0197 0.0371
Echinococcus granulosus cpg binding protein 0.0098 0.0547 0.1078
Schistosoma mansoni hypothetical protein 0.005 0.0197 0.0371
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0097 0.0168
Loa Loa (eye worm) spermidine synthase 0.0143 0.0882 0.095
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.005 0.0197 0.1902
Brugia malayi SET domain containing protein 0.03 0.2047 0.2238
Brugia malayi jmjC domain containing protein 0.0095 0.053 0.0579
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0031 0.0051 0.0074
Brugia malayi PHD-finger family protein 0.0029 0.0039 0.0043
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0084 0.0444 0.3261
Loa Loa (eye worm) hypothetical protein 0.0896 0.6467 0.7066
Echinococcus multilocularis spermidine synthase 0.0143 0.0882 0.1757
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0128 0.0776 0.1542
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0031 0.0051 0.0091
Brugia malayi Carm1-pending protein 0.0145 0.0899 0.0983
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0029 0.0041 0.0054
Brugia malayi hypothetical protein 0.005 0.0197 0.0216
Echinococcus granulosus histone lysine methyltransferase setb 0.0188 0.1216 0.2433
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0107 0.0615 0.6838
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0039 0.0051
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0027 0.0026 0.0025
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0052 0.0209 0.1367
Echinococcus multilocularis disco interacting protein 2 0.0077 0.0395 0.0772
Loa Loa (eye worm) hypothetical protein 0.0037 0.0096 0.009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0128 0.0776 0.1542
Trypanosoma brucei spermidine synthase 0.0143 0.0882 0.6797
Echinococcus multilocularis hepatoma derived growth factor protein 0.005 0.0197 0.0371
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0051 0.0014
Brugia malayi Disco-interacting protein 2 homolog 0.0077 0.0395 0.0432
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0196 0.128 0.2563
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0124 0.0222
Schistosoma mansoni hypothetical protein 0.0029 0.0039 0.0051
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0145 0.0899 0.6933
Echinococcus granulosus SET and MYND domain containing protein 3 0.007 0.0346 0.0672
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0059 0.0264 0.2683
Echinococcus multilocularis histone h3 methyltransferase 0.0515 0.3644 0.7348
Schistosoma mansoni hepatoma derived growth factor 0.005 0.0197 0.0371
Onchocerca volvulus 0.0037 0.0096 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0188 0.1216 0.2433
Echinococcus multilocularis cpg binding protein 0.0098 0.0547 0.1078
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0029 0.0037 0.0046
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0107 0.0615 0.1216
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0034 0.0074 0.0121
Schistosoma mansoni hypothetical protein 0.0052 0.0208 0.0393
Loa Loa (eye worm) hypothetical protein 0.0077 0.0395 0.0418
Plasmodium vivax SET domain protein, putative 0.0128 0.0776 0.5935
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0059 0.0264 0.1824
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0064 0.0295 0.057
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0097 0.0091
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0385 0.075
Trypanosoma cruzi transcription elongation factor s-II, putative 0.005 0.0197 0.1902
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0039 0.0051
Echinococcus granulosus protein arginine N methyltransferase 8 0.0031 0.0051 0.0074
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0097 0.0168
Loa Loa (eye worm) hypothetical protein 0.0037 0.0096 0.009
Schistosoma mansoni hypothetical protein 0.0029 0.0037 0.0046
Trypanosoma brucei transcription elongation factor s-II, putative 0.005 0.0197 0.1293
Echinococcus granulosus spermidine synthase 0.0143 0.0882 0.1757
Onchocerca volvulus 0.0116 0.0686 0.0649
Echinococcus granulosus histone h3 methyltransferase 0.0515 0.3644 0.7348
Brugia malayi CXXC zinc finger family protein 0.0096 0.0534 0.0584
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0196 0.128 1
Toxoplasma gondii hypothetical protein 0.0065 0.0309 0.2189
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.053 0.1044
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0196 0.128 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.037 0.0721
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0029 0.0037 0.0025
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0882 1
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0097 0.0168
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0051 0.0074
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0107 0.0615 0.0658
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0099 0.0557 0.5
Schistosoma mansoni cpg binding protein 0.0096 0.0534 0.1054
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0515 0.3644 0.3984
Echinococcus multilocularis SET and MYND domain containing protein 3 0.007 0.0346 0.0672
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0107 0.0615 0.4648
Schistosoma mansoni phd finger protein 0.005 0.0197 0.0371
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0169 0.1079 0.8383
Loa Loa (eye worm) CXXC zinc finger family protein 0.0096 0.0534 0.057
Leishmania major arginine N-methyltransferase-like protein 0.0031 0.0051 0.0112
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0064 0.0295 0.057
Schistosoma mansoni histone J3 methyltransferase 0.0515 0.3644 0.7348
Brugia malayi hypothetical protein 0.0037 0.0096 0.0105
Loa Loa (eye worm) hypothetical protein 0.0059 0.0264 0.0273
Loa Loa (eye worm) hypothetical protein 0.0515 0.3644 0.3974
Onchocerca volvulus 0.0077 0.0395 0.0357
Toxoplasma gondii hypothetical protein 0.005 0.0197 0.1293
Trypanosoma brucei Histone methylation protein DOT1, putative 0.0065 0.0309 0.2189
Loa Loa (eye worm) hypothetical protein 0.0069 0.0332 0.0349
Loa Loa (eye worm) hypothetical protein 0.0034 0.0074 0.0066
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0051 0.0014
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0039 0.0028
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0107 0.0615 0.1216
Plasmodium vivax spermidine synthase, putative 0.0143 0.0882 0.679
Echinococcus granulosus PWWP domain containing protein 2A 0.005 0.0197 0.0371
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0196 0.128 1
Brugia malayi hypothetical protein 0.005 0.0197 0.0216
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0107 0.0615 0.4648
Brugia malayi PWWP domain containing protein 0.005 0.0197 0.0216
Leishmania major hypothetical protein, conserved 0.0065 0.0309 0.2189
Echinococcus granulosus geminin 0.0169 0.1076 0.2151
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0197 0.1902
Echinococcus granulosus disco interacting protein 2 0.0077 0.0395 0.0772

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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