Ligand Id: 509
Ligand name (±)-adrenaline

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 72.72
Molecular weight 183.09
XLogP -0.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
4-(1-hydroxy-2-methylaminoethyl)benzene-1,2-diol
International Nonproprietary Names
INN number INN
4553 racepinefrine
Synonyms
adrenaline
(+)-adrenaline
Antiasthmatique
epinephrine
Esphygmogenina
Methylarterenol
Renaglandulin
Renostypricin
Renostypticin
Supracapsulin
Supranephrane
Database Links
BindingDB Ligand 50019058
CAS Registry No. 329-65-7 (source: ChEBI), 51-43-4 (source: NCI)
ChEBI CHEBI:33568
ChEMBL Ligand 162653, 667425, 128976
PubChem CID 838
RCSB PDB Ligand ALE
Search on ChemSpider UCTWMZQNUQWSLP-UHFFFAOYSA-N
Wikipedia Epinephrine
ZINC ZINC00039090

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org