Structure

InChI Key UCTWMZQNUQWSLP-VIFPVBQESA-N
Smiles CNC[C@H](O)c1ccc(O)c(O)c1
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO3
Molecular Weight 183.21
AlogP 0.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor agonist AGONIST DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
15-436 - - 5 -
Homo sapiens
30.2-300 - 630-630.96 100-910 29.1
Rattus norvegicus
230 - - 38-160 -

Related Entries

Cross References

Resources Reference
ChEBI 28918
ChEMBL CHEMBL679
DrugBank DB00668
DrugCentral 1028
FDA SRS YKH834O4BH
Human Metabolome Database HMDB0000068
Guide to Pharmacology 479
KEGG C00788
PDB ALE
PharmGKB PA449470
PubChem 5816
SureChEMBL SCHEMBL3814
ZINC ZINC000000039089