avagacestat

Ligand id: 6489

Name: avagacestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 127.77
Molecular weight 520.06
XLogP 4.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamide
International Nonproprietary Names
INN number INN
9351 avagacestat
Synonyms
BMS-708163
Database Links
CAS Registry No. 1146699-66-2 (source: PubChem)
ChEMBL Ligand CHEMBL1090771
PubChem CID 46883536
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Comments
Avagacestat is an oral gamma-secretase inhibitor designed for the selective inhibition of A-beta generation relative to Notch substrates in the treatment of Alzheimer's Disease but Phase 2 data did not support advancement to Phase 3