Details of the Drug

General Information of Drug (ID: DMS7FRI)

Drug Name
Methanesulfonyl fluoride
Synonyms Fluoride; Methanesulfonyl fluoride (oral, Alzheimer's disease/cognitive disorder)
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 (mw) 98.1
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
CH3FO2S
IUPAC Name
methanesulfonyl fluoride
Canonical SMILES
CS(=O)(=O)F
InChI
InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3
InChIKey
KNWQLFOXPQZGPX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11207
CAS Number
558-25-8
DrugBank ID
DB13058
TTD ID
D0W3BA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cholinesterase (BCHE) OTOH3WQ9 CHLE_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) 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
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800033430)
2 A randomized phase I study of methanesulfonyl fluoride, an irreversible cholinesterase inhibitor, for the treatment of Alzheimer's disease. Br J Clin Pharmacol. 2013 May;75(5):1231-9.
3 The mechanism and benefit of human butyrylcholinesterase activation by what would otherwise be inhibitors. Chem Biol Interact. 2019 Aug 1;308:350-356.