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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL226651
CHEMBL226651
Compound Name METHIDATHION
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H11N2O4PS3

Additional synonyms for CHEMBL226651 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=NN(CSP(=S)(OC)OC)C(=O)S1
Standard InChI InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)1 ...
Download InChI
Standard InChI Key MEBQXILRKZHVCX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL226651

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
302.3 301.9619 1.52 6 62.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.5 2.5 1 16 0.74

Structural Alerts

There are 8 structural alerts for CHEMBL226651. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B36 - METHIDATHION
ChemSpider ChemSpider:MEBQXILRKZHVCX-UHFFFAOYSA-N
PubChem SID: 124892497 SID: 144214010 SID: 26757112
Wikipedia Methidathion

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL226651



ACToR 950-37-8
Brenda 106527
ChEBI 34837
eMolecules 1947416
EPA CompTox Dashboard DTXSID5020819
FDA SRS Y2P145U7KK
IBM Patent System 427DF1205C4E0C89C92F879D58443944
KEGG Ligand C14431
MolPort MolPort-005-933-647
Nikkaji J1.752C
NMRShiftDB 20207511
PubChem 13709
PubChem: Thomson Pharma 14898488
SureChEMBL SCHEMBL26675
ZINC ZINC000002040123

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