ARECAIDINE PROPARGYL ESTER

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
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 SPHRJZBOFYIKMC-UHFFFAOYSA-N
Smiles CN1CCC=C(C1)C(=O)OCC#C
InChI
InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13NO2
Molecular Weight 179.22
AlogP 1.94
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 4490-5200 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
1.7-4.57 - - - -
Drosophila melanogaster
- - - 4490-5200 -

Cross References

Resources Reference
ChEMBL CHEMBL128365
PubChem 2229
SureChEMBL SCHEMBL13184690
ZINC ZINC25720839
CONTENTS