LY2886721

Ligand id: 6475

Name: LY2886721

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 114.9
Molecular weight 390.1
XLogP 2.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{3-[(4aS,7aS)-2-amino-4H,4aH,5H,7H,7aH-furo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
Synonyms
LY 2886721 | LY-2886721
Database Links
CAS Registry No. 1262036-50-9 (source: PubChem)
ChEMBL Ligand CHEMBL2396989
PubChem CID 49837968
RCSB PDB Ligand 3YS
Search Google for chemical match using the InChIKey NIDRNVHMMDAAIK-YPMLDQLKSA-N
Search Google for chemicals with the same backbone NIDRNVHMMDAAIK
Search UniChem for chemical match using the InChIKey NIDRNVHMMDAAIK-YPMLDQLKSA-N
Search UniChem for chemicals with the same backbone NIDRNVHMMDAAIK
SynPHARM 78477 (in complex with beta-secretase 1)
Comments
BACE1 inhibitor for Alzheimer's disease