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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL406819
CHEMBL406819
Compound Name IMIDACLOPRID
ChEMBL Synonyms Imidacloprid
Max Phase 0
Trade Names
Molecular Formula C9H10ClN5O2

Additional synonyms for CHEMBL406819 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)\N=C\1/NCCN1Cc2ccc(Cl)nc2
Standard InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13- ...
Download InChI
Standard InChI Key YWTYJOPNNQFBPC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL406819

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
255.7 255.0523 2.96 3 86.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .26 .46 .46 1 17 0.51

Structural Alerts

There are 10 structural alerts for CHEMBL406819. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A4 - NICOTINIC ACETYLCHOLINE RECEPTOR (NACHR) AGONISTS
A44A - NEONICOTINOIDS
A44A4 - IMIDACLOPRID
ChemSpider ChemSpider:YWTYJOPNNQFBPC-UHFFFAOYSA-N
PubChem SID: 144204850 SID: 144206909 SID: 144211345 SID: 170465741 SID: 26757127 SID: 29217927 SID: 50086524
Wikipedia Imidacloprid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL406819



ACToR 105827-78-9 138261-41-3
Atlas imidacloprid
BindingDB 50212288
Brenda 14017
ChEBI 5870 39168 39169
DrugBank DB11421
eMolecules 501849 2725230 26354155
EPA CompTox Dashboard DTXSID5032442
FDA SRS 3BN7M937V8
Human Metabolome Database HMDB0040292
IBM Patent System CE88674B78CE0154D10CF39D4BFFA03C
KEGG Ligand C11110
Mcule MCULE-7224198077
MolPort MolPort-003-931-374 MolPort-002-747-983 MolPort-000-770-602 MolPort-005-933-877
NMRShiftDB 20209464
PDBe IM4
PubChem 86418
PubChem: Thomson Pharma 14750006 15122378
SureChEMBL SCHEMBL22278
ZINC ZINC000004474604

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