Detailed information for compound 1416048

Basic information

Technical information
  • TDR Targets ID: 1416048
  • Name: 6-ethylamino-1,3-dimethylpyrimidine-2,4-dione
  • MW: 183.208 | Formula: C8H13N3O2
  • H donors: 1 H acceptors: 2 LogP: -0.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1cc(=O)n(c(=O)n1C)C
  • InChi: 1S/C8H13N3O2/c1-4-9-6-5-7(12)11(3)8(13)10(6)2/h5,9H,4H2,1-3H3
  • InChiKey: LKDYUNLCDHHAQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-ethylamino-1,3-dimethyl-pyrimidine-2,4-dione
  • 6-ethylamino-1,3-dimethyl-pyrimidine-2,4-quinone
  • 5770-43-4
  • BAS 00792860
  • 6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
  • MLS000035858
  • SMR000009570
  • ZINC00284305
  • Oprea1_307292
  • Oprea1_455428

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni gliotactin 0.0132 0.1158 0.1463
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0871 0.6802
Schistosoma mansoni neuroligin 3 (S09 family) 0.0132 0.1158 0.1463
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0871 0.6802
Loa Loa (eye worm) hypothetical protein 0.0132 0.1158 0.1463
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0331 0.0419
Toxoplasma gondii thioredoxin reductase 0.0046 0.026 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0434 0.0548
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.078 0.7917 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.1158 0.1463
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0331 0.0419
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0434 0.0548
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0434 0.0548
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0216 0.2034 0.2034
Schistosoma mansoni acetylcholinesterase 0.0132 0.1158 0.1463
Loa Loa (eye worm) hypothetical protein 0.078 0.7917 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0132 0.1158 1
Echinococcus granulosus acetylcholinesterase 0.078 0.7917 1
Loa Loa (eye worm) acetylcholinesterase 1 0.078 0.7917 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.1158 0.1463
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0381 0.0481
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0992 0.8154
Loa Loa (eye worm) MBCTL1 0.0062 0.0434 0.0548
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0434 0.0548
Echinococcus granulosus para nitrobenzyl esterase 0.0132 0.1158 0.1463
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0434 0.0434
Echinococcus granulosus BC026374 protein S09 family 0.0132 0.1158 0.1463
Brugia malayi glutathione reductase 0.0046 0.026 0.0329
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0355 0.0448
Mycobacterium ulcerans carboxylesterase, LipT 0.0132 0.1158 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0381 0.0481
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0434 0.0548
Leishmania major trypanothione reductase 0.0046 0.026 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0992 0.8154
Onchocerca volvulus 0.0132 0.1158 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0381 0.0481
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0132 0.1158 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.026 1
Schistosoma mansoni memapsin-2 (A01 family) 0.0516 0.5167 0.6526
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0331 0.0419
Onchocerca volvulus 0.0132 0.1158 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.026 1
Brugia malayi mbt repeat family protein 0.0055 0.0355 0.0448
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0355 0.0448
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0871 0.6802
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0267 0.0337
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0132 0.1158 0.1463
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0132 0.1158 0.1463
Onchocerca volvulus 0.0055 0.0355 0.3064
Loa Loa (eye worm) hypothetical protein 0.0132 0.1158 0.1463
Brugia malayi Carboxylesterase family protein 0.078 0.7917 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0331 0.0331
Schistosoma mansoni hypothetical protein 0.0039 0.0192 0.0242
Brugia malayi Carboxylesterase family protein 0.0132 0.1158 0.1463
Brugia malayi hypothetical protein 0.0132 0.1158 0.1463
Mycobacterium tuberculosis Probable reductase 0.0104 0.0871 0.6802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0331 0.0419
Echinococcus multilocularis neuroligin 0.0132 0.1158 0.1158
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0355 0.0355
Onchocerca volvulus 0.0132 0.1158 1
Loa Loa (eye worm) carboxylesterase 0.078 0.7917 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0355 0.0448
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0871 0.6802
Trypanosoma brucei trypanothione reductase 0.0046 0.026 0.5
Brugia malayi mbt repeat family protein 0.0055 0.0355 0.0448
Echinococcus granulosus acetylcholinesterase 0.078 0.7917 1
Schistosoma mansoni hypothetical protein 0.0333 0.3255 0.4111
Trichomonas vaginalis spcc417.12 protein, putative 0.0132 0.1158 1
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0132 0.1158 0.1463
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0267 0.0267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0331 0.0419
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0132 0.1158 0.1158
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.026 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0992 0.8154
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0132 0.1158 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0132 0.1158 0.1158
Echinococcus multilocularis acetylcholinesterase 0.078 0.7917 0.7917
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0192 0.0242
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0331 0.0331
Echinococcus multilocularis carboxylesterase 5A 0.078 0.7917 0.7917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0331 0.0419
Schistosoma mansoni BC026374 protein (S09 family) 0.0132 0.1158 0.1463
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0355 0.3064
Loa Loa (eye worm) hypothetical protein 0.078 0.7917 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0355 0.0448
Echinococcus multilocularis acetylcholinesterase 0.078 0.7917 0.7917
Loa Loa (eye worm) hypothetical protein 0.0132 0.1158 0.1463
Brugia malayi Carboxylesterase family protein 0.0132 0.1158 0.1463
Onchocerca volvulus 0.0132 0.1158 1
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0355 0.0448
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0132 0.1158 0.1463
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0355 0.0448
Plasmodium falciparum glutathione reductase 0.0046 0.026 1
Onchocerca volvulus 0.0132 0.1158 1
Brugia malayi Carboxylesterase family protein 0.078 0.7917 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0992 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0434 0.0434
Plasmodium falciparum thioredoxin reductase 0.0046 0.026 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0871 0.6802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0331 0.0419
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.026 0.0329
Loa Loa (eye worm) hypothetical protein 0.0132 0.1158 0.1463
Mycobacterium tuberculosis Carboxylesterase LipT 0.0132 0.1158 1
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0355 0.0448
Loa Loa (eye worm) hypothetical protein 0.0057 0.0381 0.0481
Brugia malayi Carboxylesterase family protein 0.0132 0.1158 0.1463
Brugia malayi Carboxylesterase family protein 0.0132 0.1158 0.1463
Echinococcus multilocularis BC026374 protein (S09 family) 0.0132 0.1158 0.1158
Loa Loa (eye worm) glutathione reductase 0.0046 0.026 0.0329
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0216 0.2034 0.2569
Loa Loa (eye worm) hypothetical protein 0.0039 0.0192 0.0242
Echinococcus granulosus neuroligin 0.0132 0.1158 0.1463
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0132 0.1158 0.1463
Loa Loa (eye worm) carboxylesterase 0.0132 0.1158 0.1463
Echinococcus granulosus carboxylesterase 5A 0.078 0.7917 1
Brugia malayi Thioredoxin reductase 0.0046 0.026 0.0329
Loa Loa (eye worm) carboxylesterase 0.0132 0.1158 0.1463

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0928 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 6.3096 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
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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