Ligand Id: 2149
Ligand name octopamine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 66.48
Molecular weight 153.08
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-(2-amino-1-hydroxyethyl)phenol
International Nonproprietary Names
INN number INN
3653 octopamine
Database Links
CAS Registry No. 770-05-8 (source: NCI)
ChEBI CHEBI:17134
ChEMBL Ligand 178400
PubChem CID 4581
RCSB PDB Ligand OTS, OTR
Search on ChemSpider QHGUCRYDKWKLMG-UHFFFAOYSA-N
Wikipedia Octopamine
ZINC ZINC00000558, ZINC00388198

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