Detailed information for compound 1292770

Basic information

Technical information
  • TDR Targets ID: 1292770
  • Name: 1-(1-ethyl-4-ethylsulfanyl-6-methyl-2-sulfany lidenepyrimidin-5-yl)ethanone
  • MW: 256.388 | Formula: C11H16N2OS2
  • H donors: 0 H acceptors: 1 LogP: 2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nc(=S)n(c(c1C(=O)C)C)CC
  • InChi: 1S/C11H16N2OS2/c1-5-13-7(3)9(8(4)14)10(16-6-2)12-11(13)15/h5-6H2,1-4H3
  • InChiKey: GVEKNZZPPIIJJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1-ethyl-4-ethylsulfanyl-6-methyl-2-thioxo-pyrimidin-5-yl)ethanone
  • 1-[1-ethyl-4-(ethylthio)-6-methyl-2-thioxo-5-pyrimidinyl]ethanone
  • 1-[1-ethyl-4-(ethylthio)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone
  • 1-(1-ethyl-4-ethylsulfanyl-6-methyl-2-sulfanylidene-pyrimidin-5-yl)ethanone
  • ZINC00467282
  • SDCCGMLS-0028910.P002
  • 1-[1-ethyl-4-(ethylthio)-6-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl]ethanone
  • MLS000089164
  • SMR000072872

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.0421 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.0132 0.0999 0.0999
Schistosoma mansoni hypothetical protein 0.0583 0.6631 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.0421 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0583 0.6631 0.6631
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.0421 1
Schistosoma mansoni tar DNA-binding protein 0.0465 0.5156 0.7775
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0059 0.0091 0.0176
Loa Loa (eye worm) transcription factor SMAD2 0.0761 0.8858 0.8858
Loa Loa (eye worm) TAR-binding protein 0.0465 0.5156 0.5156
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.027 0.2721 0.5278
Echinococcus multilocularis tar DNA binding protein 0.0465 0.5156 1
Schistosoma mansoni hypothetical protein 0.027 0.2721 0.4104
Plasmodium vivax ataxin-2 like protein, putative 0.0132 0.0999 1
Brugia malayi TAR-binding protein 0.0465 0.5156 0.5156
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.027 0.2721 0.5278
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.027 0.2721 0.5278
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.0421 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.0421 0.5
Loa Loa (eye worm) hypothetical protein 0.027 0.2721 0.2721
Schistosoma mansoni hypothetical protein 0.027 0.2721 0.4104
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.0053 0.0102
Brugia malayi RNA binding protein 0.0465 0.5156 0.5156
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.0421 0.0817
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0465 0.5156 0.5156
Brugia malayi Latrophilin receptor protein 2 0.027 0.2721 0.2721
Echinococcus granulosus tar DNA binding protein 0.0465 0.5156 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.0421 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.027 0.2721 0.5278
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.0421 0.0817
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.0053 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.0053 0.5
Schistosoma mansoni hypothetical protein 0.0059 0.0091 0.0137
Brugia malayi Probable ClpP-like protease 0.0086 0.0421 0.0421
Echinococcus multilocularis GPCR, family 2 0.027 0.2721 0.5278
Echinococcus granulosus GPCR family 2 0.027 0.2721 0.5278
Loa Loa (eye worm) latrophilin receptor protein 2 0.027 0.2721 0.2721
Brugia malayi hypothetical protein 0.0132 0.0999 0.0999
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.027 0.2721 0.2721
Plasmodium falciparum ataxin-2 like protein, putative 0.0132 0.0999 1
Schistosoma mansoni tar DNA-binding protein 0.0465 0.5156 0.7775
Schistosoma mansoni hypothetical protein 0.027 0.2721 0.4104
Loa Loa (eye worm) hypothetical protein 0.0583 0.6631 0.6631
Trypanosoma cruzi PAB1-binding protein , putative 0.0132 0.0999 0.5
Schistosoma mansoni tar DNA-binding protein 0.0465 0.5156 0.7775
Brugia malayi MH2 domain containing protein 0.0761 0.8858 0.8858
Schistosoma mansoni tar DNA-binding protein 0.0465 0.5156 0.7775
Plasmodium falciparum ataxin-2 like protein, putative 0.0132 0.0999 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0059 0.0091 0.0176
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.0421 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0465 0.5156 0.5156
Brugia malayi hypothetical protein 0.0085 0.0415 0.0415
Loa Loa (eye worm) MH2 domain-containing protein 0.0761 0.8858 0.8858
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.0053 0.0102
Leishmania major hypothetical protein, conserved 0.0132 0.0999 0.5
Loa Loa (eye worm) RNA binding protein 0.0465 0.5156 0.5156
Trypanosoma cruzi PAB1-binding protein , putative 0.0132 0.0999 0.5
Schistosoma mansoni tar DNA-binding protein 0.0465 0.5156 0.7775
Trypanosoma brucei PAB1-binding protein , putative 0.0132 0.0999 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0132 0.0999 1
Schistosoma mansoni hypothetical protein 0.027 0.2721 0.4104
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.0421 0.0635

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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