DESGLYMIDODRINE

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII S57K35I2FV
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 VFRCNXKYZVQYLX-UHFFFAOYSA-N
Smiles COc1ccc(OC)c(c1)C(O)CN
InChI
InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO3
Molecular Weight 197.23
AlogP 0.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 64.71
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

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 Adrenergic receptor
1862.09-85113.8 - - 1659.59-6918.31 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetinae
- - - 6918.31 -
Oryctolagus cuniculus
7079.46 - - - -
Rattus norvegicus
1862.09-85113.8 - - 1659.59-1995.26 -

Cross References

Resources Reference
ChEMBL CHEMBL1076
FDA SRS S57K35I2FV
PubChem 43260
SureChEMBL SCHEMBL476432
CONTENTS