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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL261919
CHEMBL261919
Compound Name PARATHION
ChEMBL Synonyms Parathion
Max Phase 0
Trade Names
Molecular Formula C10H14NO5PS

Additional synonyms for CHEMBL261919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]
Standard InChI InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10 ...
Download InChI
Standard InChI Key LCCNCVORNKJIRZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL261919

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
291.3 291.033 3.27 7 70.83 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.84 3.84 1 18 0.44

Structural Alerts

There are 11 structural alerts for CHEMBL261919. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B42 - PARATHION
ChemSpider ChemSpider:LCCNCVORNKJIRZ-UHFFFAOYSA-N
PubChem SID: 144209203 SID: 144210980 SID: 17388799 SID: 17389773 SID: 50105472
Wikipedia Parathion

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL261919



ACToR 110616-89-2 56-38-2
Brenda 101313 52537 19332 2864 135285
ChEBI 27928
eMolecules 510036
EPA CompTox Dashboard DTXSID7021100
FDA SRS 61G466064D
Human Metabolome Database HMDB0001355
IBM Patent System D39DE38A1576269235BCFF558DAE7067
KEGG Ligand C06604
Metabolights MTBLC27928
PubChem 991
PubChem: Thomson Pharma 14849165
SureChEMBL SCHEMBL26857
ZINC ZINC000000896311

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