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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

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

Structural Alerts

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

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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