Details of the Drug

General Information of Drug (ID: DMV17HK)

Drug Name

PTI-125

Synonyms

UNII-6NV440YIO0; 6NV440YIO0; PTI-910; Simufilam; Simufilam [USAN]; SCHEMBL12627054; C0105M; WHO 11778; 1-benzyl-8-methyl-1,4,8-triazaspiro(4.5)decan-2-one; 1,4,8-Triazaspiro(4.5)decan-2-one, 8-methyl-1-(phenylmethyl)-; 1224591-33-6

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 (mw)

259.35

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H21N3O
IUPAC Name: 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
Canonical SMILES: CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3
InChI: InChI=1S/C15H21N3O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
InChIKey: BSQPTZYKCAULBH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 46195331
CAS Number: 1224591-33-6
TTD ID: D6ETD2

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Filamin A (FLNA)	TTSTRZY	FLNA_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04388254) Simufilam (PTI-125), 100 mg, for Mild-to-moderate Alzheimer's Disease Patients (PTI-125). U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)