Structure

InChI Key DLNKOYKMWOXYQA-UHFFFAOYSA-N
Smile CC(N)C(O)c1ccccc1
InChI
InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO
Molecular Weight 151.21
AlogP 1.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 46.25
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 8.483
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
234422.88 - - 8511.38-8511.38 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL61006
DrugBank DB00397
DrugCentral 2149
FDA SRS 33RU150WUN
PubChem 4786
SureChEMBL SCHEMBL98589