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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL504888
CHEMBL504888
Compound Name
ChEMBL Synonyms SID26753687 | SID26753688
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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

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 #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
141.1 141.0013 -0.27 0 2 No No NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - -.78 -.78 0 7 1 0.54

Compound Cross References

ChemSpider ChemSpider:NNKVPIKMPCQWCG-UHFFFAOYSA-N
PubChem SID: 26753687 SID: 26753688
Wikipedia Methamidophos

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL504888



KEGG Ligand C18667
ChEBI 38721
eMolecules 1987681
IBM Patent System 07AC59229AFEDE12E76D3C41D18CBB8B
Patent EP0977725A1 EP0642502A1 WO2000002453A1 WO1995033380A1 US6090399 US5730996 WO1998007317A1 US3978173 WO1997040692A1 US6075157 US5973180 US5922896 US4537730 US5922698 US5798346 EP0922386A2 WO1998032718A1 US5936113 EP0984017A2 US5283066 EP0104352A1 WO1999033340A1 EP0828421A1 US3689604 EP0900024A1 WO1999063829A2 EP0736252A2 WO2000062792A2 EP0736252A3 WO1987000400A1 EP0642502B1 WO2000069261A1
Human Metabolome Database HMDB31803
PubChem: Thomson Pharma 15315409
PubChem 4096

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