AZ-4217

Ligand id: 6939

Name: AZ-4217

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 71.58
Molecular weight 476.2
XLogP 6.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(1R)-3-amino-4-fluoro-1-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methyl-1,2-dihydropyridin-2-one
Synonyms
AZ 4217 | AZ4217
Comments
AZ-4217 is a potent BACE1 inhibitor for Alzheimer's Disease with efficacy in mice, guinea pigs, and Tg2576 mice [1]. There is a BACE1 PDB structure with this ligand 4B00 but with a different tautomeric representation as PubChem CID 60210950
Database Links
ChEMBL Ligand CHEMBL2152903
GtoPdb PubChem SID 178103521
PubChem CID 57406537
RCSB PDB Ligand I6X
Search Google for chemical match using the InChIKey TUGLMYZSOPKJOA-PMERELPUSA-N
Search Google for chemicals with the same backbone TUGLMYZSOPKJOA
Search UniChem for chemical match using the InChIKey TUGLMYZSOPKJOA-PMERELPUSA-N
Search UniChem for chemicals with the same backbone TUGLMYZSOPKJOA
SynPHARM 78987 (in complex with beta-secretase 1)