N,N-DIMETHYL-2-(3-NITROPHENOXY)ETHANAMINE

/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 RFYYSGPYUDWKDP-UHFFFAOYSA-N
Smiles CN(C)CCOc1cccc(c1)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O3/c1-11(2)6-7-15-10-5-3-4-9(8-10)12(13)14/h3-5,8H,6-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O3
Molecular Weight 210.23
AlogP 1.85
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 58.29
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

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
- - - 3390 33
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 3390 33
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 3390 -
Rattus norvegicus
- - - - 33

Cross References

Resources Reference
ChEMBL CHEMBL2261107
PubChem 21833117
SureChEMBL SCHEMBL3213420
CONTENTS