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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL530115
CHEMBL530115
Compound Name GUTHION
ChEMBL Synonyms Guthion
Max Phase 0
Trade Names
Molecular Formula C10H12N3O3PS2

Additional synonyms for CHEMBL530115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COP(=S)(OC)SCN1N=Nc2ccccc2C1=O
Standard InChI InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3- ...
Download InChI
Standard InChI Key CJJOSEISRRTUQB-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL530115

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
317.3 317.0058 2.93 5 130.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.47 2.47 1 19 0.76

Structural Alerts

There are 8 structural alerts for CHEMBL530115. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B4 - AZINPHOSMETHYL
ChemSpider ChemSpider:CJJOSEISRRTUQB-UHFFFAOYSA-N
PubChem SID: 144209163 SID: 144211246 SID: 17390029 SID: 26747400 SID: 26753125 SID: 89854987
Wikipedia Azinphos-methyl

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL530115



ACToR 54182-73-9 86-50-0
ChEBI 2953
eMolecules 509542
EPA CompTox Dashboard DTXSID3020122
FDA SRS 265842EWUV
IBM Patent System A9893EC746C4CF3D45ECBF0A962D20EE
KEGG Ligand C11018
LINCS LSM-20980
Nikkaji J4.261G
NMRShiftDB 20208637
PubChem 2268
PubChem: Thomson Pharma 15346899
SureChEMBL SCHEMBL27791
ZINC ZINC00900708

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