begacestat

Ligand id: 6979

Name: begacestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.02
Molecular weight 390.95
XLogP 3.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
International Nonproprietary Names
INN number INN
8845 begacestat
Synonyms
GSI-953
Database Links
CAS Registry No. 769169-27-9 (source: PubChem)
ChEMBL Ligand CHEMBL463981
PubChem CID 11269353
Search Google for chemical match using the InChIKey PSXOKXJMVRSARX-SCSAIBSYSA-N
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Search UniChem for chemical match using the InChIKey PSXOKXJMVRSARX-SCSAIBSYSA-N
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Comments
Begacestat is a thiophene sulfonamide gamma-secretase inhibitor (GSI) for Alzheimer's Disease that selectively inhibits cleavage of APP over Notch [1].