IMIDACLOPRID

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII 3BN7M937V8
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key YWTYJOPNNQFBPC-UHFFFAOYSA-N
Smiles [O-][N+](=O)\N=C\1/NCCN1Cc2ccc(Cl)nc2
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10ClN5O2
Molecular Weight 255.66
AlogP 2.96
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 86.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 6-29
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 2600-1060000 - 970 39
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor
- 2600-1060000 - 19 39
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 1-3
Unclassified protein
- - - 970 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 29
Aphis craccivora
- 2.3 - - -
Aphis gossypii
- - - - 23.4
Apis mellifera
- 1950-386000 - 2530 -
Aplysia californica
- - - 19 -
Ceutorhynchus obstrictus
- - - - 39.4-100
Drosophila
- - - 3 -
Drosophila melanogaster
- 2.3-4.6 - 3 1-3
Gallus gallus
- - - 970 -
Homo sapiens
- 14000-270000 - - 39
Lymnaea stagnalis
- - - 970 -
Mus musculus
- 2600 - - -
Musca domestica
1174.9 2.6-20 - 4.6-7470 -
Myzus persicae
- 3.1 - 0.035-32 -
Oryctolagus cuniculus
- - - - 6
Periplaneta americana
1318.26 - - - -
Rattus norvegicus
- 984 - - -
Torpedo nobiliana
- 1060000-1060000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL406819
FDA SRS 3BN7M937V8
PDB IM4
PubChem 86418
SureChEMBL SCHEMBL22278
ZINC ZINC04474604
CONTENTS