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 Suppliers
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 OTR, OTS
Search Google for chemical match using the InChIKey QHGUCRYDKWKLMG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QHGUCRYDKWKLMG
Search PubMed clinical trials octopamine
Search PubMed titles octopamine
Search PubMed titles/abstracts octopamine
Wikipedia Octopamine
ZINC ZINC00000558

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