Detailed information for compound 570310

Basic information

Technical information
  • TDR Targets ID: 570310
  • Name: diethoxyphosphinothioylsulfanylmethylsulfanyl -diethoxy-thioxo-phosphorane
  • MW: 384.476 | Formula: C9H22O4P2S4
  • H donors: 0 H acceptors: 0 LogP: 4.61 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
  • InChi: 1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
  • InChiKey: RIZMRRKBZQXFOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(diethoxyphosphinothioylthio)methylthio]-diethoxy-thioxophosphorane
  • diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane
  • [(diethoxythiophosphorylthio)methylthio]-diethoxy-thioxo-phosphorane
  • ethion
  • diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane
  • diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-phosphorane
  • 563-12-2
  • Caswell No. 427
  • Diethion
  • EINECS 209-242-3
  • ENT 24,105
  • EPA Pesticide Chemical Code 058401
  • Embathion
  • Ethanox
  • Ethiol 100
  • Ethion [ANSI:BSI:ISO]
  • Ethodan
  • Ethopaz
  • Ethyl methylene phosphorodithioate
  • FMC-1240
  • Fosfatox E
  • Fosfono 50
  • HSDB 399
  • Hylemox
  • KWIT
  • Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat) [Dutch]
  • Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat) [German]
  • NIA 1240
  • Niagara 1240
  • Nialate
  • O,O,O',O'-Tetraaethyl-bis(dithiophosphat) [German]
  • O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate
  • O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)
  • O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)
  • O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate
  • O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate
  • O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)
  • Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol
  • Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester
  • Phosphotox E
  • RP 8167
  • Rhodocide
  • Rodocid
  • S,S'-Methylen-bis(O,O-diaethyl-dithiophosphat) [German]
  • S,S'-Methylene O,O,O',O'-tetraethyl di(phosphorodithioate) (8CI)
  • S,S'-Methylene O,O,O',O'-tetraethyl phosphorodithioate
  • S,S'-Methylene bis(O,O-diethyl phosphorodithioate)
  • Tetraethyl S,S'-methylene bis(phosphorothiolothionate)
  • Vegfru fosmite
  • Spectrum2_001225
  • NCGC00163850-01
  • KBioSS_002246
  • Spectrum_001765
  • Spectrum4_000643
  • SpecPlus_000346
  • KBioGR_000985
  • KBio2_002245
  • DivK1c_006442
  • Spectrum5_001923
  • KBio2_004813
  • KBio2_007381
  • Spectrum3_000803
  • CHEBI:38663
  • O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)
  • O,O,O',O'-tetraethyl S,S'-methanediyl bis(phosphorodithioate)
  • KBio3_001765
  • O,O,O',O'-tetraethyl S,S'-methylene bis(dithiophosphate)
  • PS92_SUPELCO
  • KBio1_001386
  • SPBio_001070
  • 45477_RIEDEL
  • BSPBio_002265
  • 4-01-00-03093 (Beilstein Handbook Reference)
  • AI3-24105
  • BRN 1804530
  • Bis(S-(diethoxyphosphinothioyl)mercapto)methane

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) 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 thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
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 photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1548 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1548 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1548 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1548 1
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.9008 0.5
Schistosoma mansoni hypothetical protein 0.0152 0.9008 0.9008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0056 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS assay for small molecule activators of the rat pregnane X receptor (rPXR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 43.6412 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No 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

Species name Source Reference Is orphan
Homo sapiens 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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