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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL259727
CHEMBL259727
Compound Name CLOTHIANIDINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H8ClN5O2S

Additional synonyms for CHEMBL259727 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN\C(=N/[N+](=O)[O-])\NCc1cnc(Cl)s1
Standard InChI InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/ ...
Download InChI
Standard InChI Key PGOOBECODWQEAB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL259727

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
249.7 249.0087 2.63 5 123.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .49 .69 .69 1 15 0.36

Structural Alerts

There are 6 structural alerts for CHEMBL259727. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A4 - NICOTINIC ACETYLCHOLINE RECEPTOR (NACHR) AGONISTS
A44A - NEONICOTINOIDS
A44A2 - CLOTHIANIDIN
ChemSpider ChemSpider:PGOOBECODWQEAB-UHFFFAOYSA-N
PubChem SID: 144211508 SID: 26757363
Wikipedia Clothianidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL259727



ACToR 205510-53-8 210880-92-5
Atlas clothianidin
Brenda 24246
ChEBI 39178 39177
eMolecules 17498218
EPA CompTox Dashboard DTXSID2034465
FDA SRS 2V9906ABKQ
IBM Patent System B0A39B7029A6B6E054CA8D844AB41722 9E87BEE0B3305912C9B6D5F6752DA069
KEGG Ligand C18508
MolPort MolPort-044-181-320
PDBe CT4
PubChem 213027
PubChem: Thomson Pharma 16156791 15196700
SureChEMBL SCHEMBL21214
ZINC ZINC000013827936

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