General
Preferred name
SEMAGACESTAT
Synonyms
LY450139 ()
LY 450139 ()
Semagacestat (LY450139) ()
LY-450139 ()
Semagacestat? ()
P&D ID
PD003375
CAS
425386-60-3
866488-53-1
Tags
available
drug candidate
Drug indication
Parkinson disease
Drug Status
investigational
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 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. NOTCH is also a γ-secretase substrate , and on-target inhibition of NOTCH receptor-related signalling by semagacestat treatment is proposed to be (at least in part) responsible for the unacceptable side effects that were noted in clinical trials, and which lead to termination of the trials . (GtoPdb)
DESCRIPTION inhibitor of gamma-secretase (Informer Set)
DESCRIPTION Potent and selective SMYD3 inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Semagacestat is a gamma-secretase inhibitor originally developed by Eli Lilly. In Aug 2010, Phase-III for Alzheimer's disease was discontinued. (BOC Sciences Bioactive Compounds)
Compound Sets
17
AdooQ Bioactive Compound Library
A10836
BOC Sciences Bioactive Compounds
ly-450139-cas-866488-53-1-item-476697
Cayman Chemical Bioactives
16713
ChEMBL Drugs
CHEMBL520733
Drug Repurposing Hub
DrugBank
DB12463
DrugMAP
DML83IW
EU-OPENSCREEN Bioactive Compound Library
EOS101239
Guide to Pharmacology
6978
Informer Set
660341
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL520733
MedChem Express Bioactive Compound Library
HY-10009
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
Semagacestat(LY450139)
TargetMol Bioactive Compound Library
T6125
Tocris Bioactive Compound Library
6559
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
361.2
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
0.38
TPSA
98.74
Fraction CSP3
0.53
Chiral centers
3.0
Largest ring
7.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
APH1A
NCSTN
PSEN1
PSENEN
Amyloid-¦Â
¦Ã-secretase
Notch
?? secretase(A??38)
?? secretase(A??40)
?? secretase(A??42)
Amyloid-????secretase
??secretase
Amyloid-β
γ-secretase
Beta Amyloid,Notch,Secretase
Compound status
clinical
Pathway
Neuroscience
Proteases/Proteasome
Stem Cells
Neuronal Signaling
Stem Cell/Wnt
Primary Target
?-Secretase
MOA
Inhibitor
gamma-Secretase Inhibitors
Antiamyloidogenic Agents
gamma secretase inhibitor
Member status
member
Solubility
Soluble in DMSO
Source data