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]
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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
CAS Number: 519187-97-4
TTD ID: D0E8HA

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.