HS665

Ligand id: 9189

Name: HS665

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 23.47
Molecular weight 309.21
XLogP 6.94
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol
Synonyms
compound 4 [PMID: 23134120]
Database Links
BindingDB Ligand 50399881
ChEMBL Ligand CHEMBL2180639
PubChem CID 71452041
Search Google for chemical match using the InChIKey YNVKFHIWFDRVNY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YNVKFHIWFDRVNY
Search UniChem for chemical match using the InChIKey YNVKFHIWFDRVNY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YNVKFHIWFDRVNY
Comments
HS665 is a highly potent and selective κ opioid receptor agonist [1].