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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL504888
CHEMBL504888
Compound Name METHAMIDOPHOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H8NO2PS

Additional synonyms for CHEMBL504888 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COP(=O)(N)SC
Standard InChI InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
Standard InChI Key NNKVPIKMPCQWCG-UHFFFAOYSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL504888. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL504888

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
141.1 141.0013 -0.27 2 87.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.78 -.78 0 7 0.54

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B35 - METHAMIDOPHOS
ChemSpider ChemSpider:NNKVPIKMPCQWCG-UHFFFAOYSA-N
PubChem SID: 144209448 SID: 144211057 SID: 26753687 SID: 26753688
Wikipedia Methamidophos

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL504888



ACToR 65960-97-6 10265-92-6 115182-35-9
ChEBI 38721
eMolecules 1987681
EPA CompTox Dashboard DTXSID6024177
Human Metabolome Database HMDB31803
IBM Patent System 07AC59229AFEDE12E76D3C41D18CBB8B
KEGG Ligand C18667
MolPort MolPort-003-665-440
Nikkaji J9.819A
PubChem 4096
PubChem: Thomson Pharma 15315409
SureChEMBL SCHEMBL23291

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