Details of the Drug

General Information of Drug (ID: DMD72F4)

Drug Name
T-817MA
Synonyms
Edonerpic maleate; T-817MA; UNII-0LB9F7I5P3; 0LB9F7I5P3; 519187-97-4; T-817; T-817 maleate; SCHEMBL48064; RLUCYBFCLXANSO-BTJKTKAUSA-N; HY-17631A; DC10762; CS-8069; J2.179.155E; 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol maleate; 1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}-3-azetidinol maleate; 1-(3-(2-(Benzo(b)thiophene-5-yl)ethoxy)propyl)azetidine-3-ol maleate; 1-(3-(2-(1-benzothiophene-5-yl)ethoxy)propyl)-3-azetidinol maleate; 3-Azetidinol, 1-(3-(2-benzo(b)thien-5-ylethoxy)propyl)-, (2Z)-2-butenedioate (1:
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 407.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Chemical Identifiers
Formula
C20H25NO6S
IUPAC Name
1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol;(Z)-but-2-enedioic acid
Canonical SMILES
C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(=C\\C(=O)O)\\C(=O)O
InChI
InChI=1S/C16H21NO2S.C4H4O4/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16;5-3(6)1-2-4(7)8/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
RLUCYBFCLXANSO-BTJKTKAUSA-N
Cross-matching ID
PubChem CID
11338749
ChEBI ID
CHEMBL4297438
CAS Number
519187-97-4
TTD ID
D0E8HA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Amyloid beta A4 protein (APP) TTE4KHA A4_HUMAN Inhibitor [2]
Lipid peroxidation (LPO) TTV0YFR NOUNIPROTAC Modulator [3]
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Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Amyloid beta A4 protein (APP) DTT APP 1.60E-02 -0.07 -0.31
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02079909) Efficacy and Safety of T-817MA in Patients With Mild to Moderate Alzheimer's Disease (US202). U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 A neuroprotective agent, T-817MA (1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl} azetidin-3-ol maleate), prevents 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-induced neurotoxicity in mice. Neuropharmacology. 2008 Oct;55(5):654-60.