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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1896251
CHEMBL1896251
Compound Name THIAMETHOXAM
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H10ClN5O3S

Additional synonyms for CHEMBL1896251 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1COCN(Cc2cnc(Cl)s2)/C/1=N\[N+](=O)[O-]
Standard InChI InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2 ...
Download InChI
Standard InChI Key NWWZPOKUUAIXIW-FLIBITNWSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1896251

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
291.7 291.0193 1.02 3 84.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .99 .16 .16 1 18 0.61

Structural Alerts

There are 5 structural alerts for CHEMBL1896251. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A4 - NICOTINIC ACETYLCHOLINE RECEPTOR (NACHR) AGONISTS
A44A - NEONICOTINOIDS
A44A7 - THIAMETHOXAM
ChemSpider ChemSpider:NWWZPOKUUAIXIW-FLIBITNWSA-N
PubChem SID: 26757355

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1896251



PubChem 5485188
PubChem: Thomson Pharma 14751356
SureChEMBL SCHEMBL22917
ZINC ZINC000031361189

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