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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1713417
CHEMBL1713417
Compound Name ETHION
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H22O4P2S4

Additional synonyms for CHEMBL1713417 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
Standard InChI InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7 ...
Download InChI
Standard InChI Key RIZMRRKBZQXFOY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1713417

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
384.5 383.9876 5.01 12 36.92 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.07 5.07 0 19 0.34

Structural Alerts

There are 9 structural alerts for CHEMBL1713417. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B21 - ETHION
ChemSpider ChemSpider:RIZMRRKBZQXFOY-UHFFFAOYSA-N
PubChem SID: 144210495 SID: 26757260 SID: 89854990

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1713417



ACToR 563-12-2
ChEBI 38663
eMolecules 509812
EPA CompTox Dashboard DTXSID2024086
FDA SRS 2TI07NO12Y
IBM Patent System BA4A8F1EAA5D957AFEC212E94B94C615
KEGG Ligand C18725
Nikkaji J3.297B
NMRShiftDB 20208975
PubChem 3286
PubChem: Thomson Pharma 15400753
SureChEMBL SCHEMBL26750
ZINC ZINC000002034740

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RIZMRRKBZQXFOY-UHFFFAOYSA-N spacer
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