ACETAMIPRID

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII 5HL5N372P0
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 WCXDHFDTOYPNIE-RIYZIHGNSA-N
Smiles CN(Cc1ccc(Cl)nc1)\C(=N\C#N)\C
InChI
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11ClN4
Molecular Weight 222.67
AlogP 1.08
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 52.28
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 680 12.6-12.6
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor
- - - 32 12.6-12.6
Unclassified protein
- - - 1200 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- 1740000 - - -
Aphis gossypii
- - - - 40.2
Apis mellifera
- 8830-277000 - - -
Aplysia californica
- - - 32 -
Drosophila
- - - 7.2 -
Drosophila melanogaster
- 8.3 - - -
Gallus gallus
- - - 680 -
Lymnaea stagnalis
- - - 1200 -
Musca domestica
426.58 - - - -
Myzus persicae
- 10 - - -
Oryctolagus cuniculus
- - - -
Torpedo nobiliana
- - - - 12.6-12.6

Cross References

Resources Reference
ChEMBL CHEMBL265941
FDA SRS 5HL5N372P0
SureChEMBL SCHEMBL26296
CONTENTS