semagacestat

Ligand id: 6978

Name: semagacestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 98.74
Molecular weight 361.2
XLogP 2.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(1S)-3-methyl-2-oxo-4,5-dihydro-1H-3-benzazepin-1-yl]amino]-1-oxopropan-2-yl]butanamide
International Nonproprietary Names
INN number INN
8996 semagacestat
Synonyms
LY-450139
Database Links
CAS Registry No. 425386-60-3 (source: PubChem)
ChEMBL Ligand CHEMBL520733
PubChem CID 9843750
Search Google for chemical match using the InChIKey PKXWXXPNHIWQHW-RCBQFDQVSA-N
Search Google for chemicals with the same backbone PKXWXXPNHIWQHW
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Search UniChem for chemical match using the InChIKey PKXWXXPNHIWQHW-RCBQFDQVSA-N
Search UniChem for chemicals with the same backbone PKXWXXPNHIWQHW
Wikipedia Semagacestat
Comments
Semagacestat is a small-molecule γ-secretase inhibitor that was developed by Eli Lilly as a potential treatment for Alzheimer's disease but it failed in Phase 3 clinical trials.