2-(5-CHLOROPYRIDIN-3-YLOXY)-N,N-DIMETHYLETHANAMINE

/static/temp/default.svg Search structure
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 YSNAEMBEDSWMSL-UHFFFAOYSA-N
Smiles CN(C)CCOc1cncc(Cl)c1
InChI
InChI=1S/C9H13ClN2O/c1-12(2)3-4-13-9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13ClN2O
Molecular Weight 200.67
AlogP 1.47
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 25.36
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 450 84
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 450 84
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 450 -
Rattus norvegicus
- - - - 84

Cross References

Resources Reference
ChEMBL CHEMBL113076
PubChem 44340717
CONTENTS