LY2456302

Ligand id: 9194

Name: LY2456302

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 55.56
Molecular weight 418.21
XLogP 6.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
Synonyms
LY-2456302
Database Links
BindingDB Ligand 50358171
CAS Registry No. 1174130-61-0 (source: PubChem)
ChEMBL Ligand CHEMBL1921847
PubChem CID 44129648
Search Google for chemical match using the InChIKey ZHPMYDSXGRRERG-DEOSSOPVSA-N
Search Google for chemicals with the same backbone ZHPMYDSXGRRERG
Search UniChem for chemical match using the InChIKey ZHPMYDSXGRRERG-DEOSSOPVSA-N
Search UniChem for chemicals with the same backbone ZHPMYDSXGRRERG
Comments
LY2456302 is a potent small molecule, centrally-penetrant, selective antagonist of the κ opioid receptor, with potential antidepressant-like effects [2]. It is claimed in patent WO2009094260 [1].