Detailed information for compound 1400206

Basic information

Technical information
  • TDR Targets ID: 1400206
  • Name: 6-ethyl-5-methyl-2-(pyridin-2-ylmethylsulfany l)-1H-pyrimidin-4-one
  • MW: 261.343 | Formula: C13H15N3OS
  • H donors: 1 H acceptors: 4 LogP: 2.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc(SCc2ccccn2)nc(c1C)O
  • InChi: 1S/C13H15N3OS/c1-3-11-9(2)12(17)16-13(15-11)18-8-10-6-4-5-7-14-10/h4-7H,3,8H2,1-2H3,(H,15,16,17)
  • InChiKey: RFDQYNTVCVLRRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-ethyl-5-methyl-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-4-one
  • 6-ethyl-5-methyl-2-(2-pyridylmethylthio)-1H-pyrimidin-4-one
  • 6-Ethyl-5-methyl-2-(pyridin-2-ylmethylsulfanyl)-pyrimidin-4-ol
  • MLS000715719
  • SMR000277236
  • ASN 06405483
  • ZINC04858524

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus GPCR family 2 0.0047 0.2213 0.7957
Brugia malayi hypothetical protein 0.002 0.0237 0.0237
Loa Loa (eye worm) hypothetical protein 0.0047 0.2213 0.2213
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.2213 0.7957
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.7656 0.7656
Schistosoma mansoni hypothetical protein 0.0047 0.2213 0.3607
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1009 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.2213 0.7957
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2782 0.4533
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2782 0.2782
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.9518 0.9518
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.6137 0.6137
Brugia malayi MH2 domain containing protein 0.0123 0.7656 0.7656
Loa Loa (eye worm) hypothetical protein 0.0149 0.9518 0.9518
Leishmania major hypothetical protein, conserved 0.003 0.1009 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.6137 0.6137
Schistosoma mansoni hypothetical protein 0.0047 0.2213 0.3607
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2782 0.2782
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2782 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.2213 0.2213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2782 0.4533
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.7656 0.7656
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1009 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2782 0.4533
Brugia malayi Latrophilin receptor protein 2 0.0047 0.2213 0.2213
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1009 1
Schistosoma mansoni hypothetical protein 0.0047 0.2213 0.3607
Loa Loa (eye worm) hypothetical protein 0.003 0.1009 0.1009
Echinococcus multilocularis GPCR, family 2 0.0047 0.2213 0.7957
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.2213 0.7957
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.2213 0.7957
Schistosoma mansoni hypothetical protein 0.0047 0.2213 0.3607
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1009 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.2213 0.2213
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1009 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2782 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2782 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1009 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1009 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.9518 0.9518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2782 1
Brugia malayi hypothetical protein 0.003 0.1009 0.1009
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.9518 0.9518
Schistosoma mansoni hypothetical protein 0.0102 0.6137 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0891 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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

No literature references available for this target.

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