compound 3 [PMID: 23134120]

Ligand id: 9190

Name: compound 3 [PMID: 23134120]

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 295.19
XLogP 6.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol
Synonyms
HS6666
Database Links
BindingDB Ligand 50399882
ChEMBL Ligand CHEMBL2180638
GtoPdb PubChem SID 315661269
PubChem CID 71452040
Search Google for chemical match using the InChIKey QURAQIGQNZYJHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QURAQIGQNZYJHP
Search UniChem for chemical match using the InChIKey QURAQIGQNZYJHP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QURAQIGQNZYJHP
Comments
Compound 3 is a partial agonist of the κ opioid receptor [1].