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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

Structural Alerts

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

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 2.9 7 115.41 -


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 0.43

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
ChEBI 27928
eMolecules 510036
FDA SRS 61G466064D
Human Metabolome Database HMDB01355
IBM Patent System D39DE38A1576269235BCFF558DAE7067
IBM Patents US6047700 US20060264653 EP0437136A3 EP2184773A1 EP0937930A2 US6159208 WO2000056229A1 US20050182127 US7090672 EP0484632A3 US4477637 US4434165 US20050212007 US7677943 US4240979 US4472188 US4239775 US20090200181 US3947529 US20010025176 EP0132729A2 EP2107600A2 US20040230190 EP0269874A1 EP0001975A1 EP0007589A1 EP0041143A1 EP1736035A2 WO2005004867A2 EP0221410A1 US20070194332 US20070026571 US20060216241 EP1761174A1 US4678777 US20040161818 US4775693 EP1238572A1 EP0862636A1 US4424215 EP0633754B1 US4344961 WO1999056646A1 US3761589 US20070026570 US4448929 EP0287959A1 WO2007024144A1 US4118234 US20080191220 WO1985005318A1 EP0309843B1 US20030068038 US4727155 WO2000002453A1 US5332584 US4824663 US6045532 WO2007051198A2 EP1178758B1 US4569930 EP0210446A2 WO1999017690A1 EP2169012A1 US4296108 US20070265229 US5169644 US7004941 US7125379 EP1667572A2 EP0278443A2 US4260604 EP1509221B1 US20090110707 US20030028189 US20060252336 US4414208 EP2169011A1 WO2003103103A1 US4956129 US4324858 US4980568 EP0254078B1 US4262019 EP1642561A1 US20050163719 EP0736252A2 US20080194693 EP1585514A1 US20080314867 US7294961 US20050214962 US5879554 EP1238572B1 EP0024649A1 US20020153368 US5459748 EP0116889A1 WO2005112778A1 US20040006339
KEGG Ligand C06604
PubChem 991
PubChem: Thomson Pharma 14849165
SureChEMBL SCHEMBL26857
ZINC ZINC00896311

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